data_2dis_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 2dis _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 ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -131.97 137.77 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.634 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 66.3 mt -97.37 136.72 37.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.517 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 60.1 t80 -85.23 102.17 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.59 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 22.1 mm -101.36 107.17 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.86 146.4 18.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.44 53.63 0.99 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.447 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.5 pt -137.8 150.69 68.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.657 0.741 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.453 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 54.2 Cg_endo -69.78 139.89 41.24 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -67.5 -29.35 68.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.6 ptp -47.58 -21.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.503 ' HE3' ' CG ' ' A' ' 80' ' ' TRP . 26.3 mmtt -93.01 154.87 17.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLU . 4.9 mtmm -122.67 153.09 39.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 21' ' ' LYS . 16.7 ptt85 -34.73 -33.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' LYS . 12.4 mt-10 -61.19 -48.89 79.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 21' ' ' LYS . 29.2 mm-40 -70.11 -49.9 46.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.1 mt -46.95 -56.03 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.439 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 3.6 tp -43.51 -54.91 4.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.78 -63.68 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.51 ' HG2' ' CE2' ' A' ' 80' ' ' TRP . 1.2 mp0 -46.63 -21.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.437 ' CG2' HG11 ' A' ' 57' ' ' VAL . 10.1 mm -91.6 -39.23 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.23 -12.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -103.07 -49.47 3.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.469 HG22 ' N ' ' A' ' 33' ' ' THR . 5.8 m -65.61 -29.55 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.469 ' N ' HG22 ' A' ' 32' ' ' VAL . 30.4 p -140.22 121.32 14.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -91.79 127.67 37.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.65 14.75 4.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.418 HG11 ' CE2' ' A' ' 59' ' ' TYR . 1.7 m -84.8 132.45 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.6 tp -90.16 -50.88 5.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -162.26 162.59 28.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 40' ' ' ILE . 25.6 t -116.51 138.84 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.46 ' N ' HG13 ' A' ' 39' ' ' VAL . 4.3 mp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.624 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.624 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -155.83 156.49 34.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.4 ' CD1' ' HZ ' ' A' ' 54' ' ' PHE . 8.5 m-85 -108.06 137.44 46.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.437 HG11 ' CG2' ' A' ' 29' ' ' ILE . 2.5 t -122.37 110.89 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -87.59 129.49 35.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.634 ' CE1' ' CD1' ' A' ' 11' ' ' LEU . 77.4 m-85 -111.85 127.27 55.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -53.06 -49.83 65.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.6 t -88.82 122.63 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -46.22 -33.06 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 65' ' ' ALA . 9.3 tpp85 -81.45 -42.67 20.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.61 -27.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.535 ' HB1' ' CD1' ' A' ' 59' ' ' TYR . . . -91.68 -39.77 11.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -62.89 -38.72 92.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -88.97 -12.08 42.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.27 -22.37 30.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.066 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 73' ' ' MET . 18.8 ptt85 -82.92 -37.56 24.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -62.36 -7.91 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -94.47 -30.13 14.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mt -109.51 -6.42 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.63 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -54.1 -51.98 72.56 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.927 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.76 -2.27 9.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.43 28.31 73.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -71.38 -30.18 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.441 ' CG2' HG13 ' A' ' 32' ' ' VAL . 4.7 mp -107.76 129.69 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -113.41 153.86 27.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.544 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 96.8 mt -107.44 116.28 31.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.544 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.8 m-90 59.67 29.12 18.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.21 1.36 90.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.458 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -103.06 134.58 46.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.81 141.84 58.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.4 pp -133.73 154.12 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.89 144.86 50.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.464 HG11 ' CD1' ' A' ' 13' ' ' ILE . 20.7 m -112.15 127.86 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -130.53 155.09 47.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -72.73 107.44 5.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.844 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.857 0.361 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -134.49 138.42 44.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.57 HD13 ' CE1' ' A' ' 59' ' ' TYR . 50.8 mt -94.54 138.69 32.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.653 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 58.2 t80 -85.56 102.67 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.586 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 23.1 mm -97.8 106.16 18.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -116.41 147.74 18.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.18 31.92 6.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.6 pt -105.52 151.37 39.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.646 0.736 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.57 17.83 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 19' ' ' MET . 38.3 mttt -58.44 -53.9 53.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.435 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 24.0 ptp -35.87 -40.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.435 ' CD ' ' HG3' ' A' ' 19' ' ' MET . 7.2 mptt -64.46 151.88 43.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.56 -179.07 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -68.78 -46.39 68.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -51.59 -37.46 49.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -74.99 -49.61 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.0 mt -54.83 -45.1 74.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 tp -54.0 -56.14 20.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -60.93 -40.89 94.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.493 ' HG3' ' CE2' ' A' ' 80' ' ' TRP . 19.1 mm-40 -66.74 -17.9 65.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 mm -97.02 -38.42 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.28 -10.71 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -100.16 -47.54 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.3 m -71.31 -26.85 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.0 p -142.62 112.36 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -86.21 134.12 33.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.44 7.41 8.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.455 HG13 ' CE2' ' A' ' 59' ' ' TYR . 1.5 m -77.05 159.41 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 111.169 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 tp -120.62 -49.16 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -161.25 147.91 14.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 40' ' ' ILE . 70.1 t -111.35 133.92 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.417 ' N ' HG12 ' A' ' 39' ' ' VAL . 5.2 mp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.653 ' CE2' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.642 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -155.02 153.66 31.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.401 ' CD1' ' HZ ' ' A' ' 54' ' ' PHE . 6.5 m-85 -107.28 147.84 29.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.0 t -130.31 107.16 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -83.89 121.6 27.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.57 ' CE1' HD13 ' A' ' 11' ' ' LEU . 83.6 m-85 -104.93 126.86 52.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 61' ' ' SER . 15.7 pt-20 -56.09 -47.02 78.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 9.3 t -90.31 119.6 30.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -44.33 -35.17 2.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -79.04 -41.1 29.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 68' ' ' ALA . . . -42.75 -26.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.452 ' HB3' ' CD1' ' A' ' 59' ' ' TYR . . . -91.81 -42.9 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.421 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -59.22 -48.46 81.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.3 ptp -79.14 -14.38 59.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 64' ' ' ALA . . . -82.62 -23.58 34.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.55 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 2.9 ptm180 -83.86 -39.33 20.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -63.3 -8.09 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -95.23 -32.52 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.7 mt -106.01 -3.1 22.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.636 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -56.34 -51.83 77.87 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.568 0.699 . . . . 0.0 110.882 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.0 Cg_endo -69.79 3.31 2.86 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.672 2.248 . . . . 0.0 112.364 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.43 27.7 61.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.0 mmt-85 -68.23 -33.48 74.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.442 HG21 ' N ' ' A' ' 78' ' ' GLN . 4.6 mp -99.5 135.21 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.442 ' N ' HG21 ' A' ' 77' ' ' ILE . 80.6 mt-30 -118.79 145.03 45.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.547 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 39.8 mt -103.44 121.31 42.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.547 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 3.5 m-90 55.38 35.37 24.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.82 4.79 77.75 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -107.14 136.01 47.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -69.29 148.49 49.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.5 pp -142.3 152.92 18.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.86 145.22 51.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 13' ' ' ILE . 18.9 m -113.21 127.18 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -128.68 154.28 46.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.55 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 18.0 m95 -69.88 107.03 3.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 179.88 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.7 mtm-85 -138.15 147.34 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.8 mt -107.93 136.57 47.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.458 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 42.9 t80 -85.94 102.55 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.468 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 9.9 mm -101.36 117.97 47.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.06 148.56 17.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.65 -5.22 47.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.425 HD13 ' CB ' ' A' ' 55' ' ' ALA . 13.7 pt -72.5 147.38 89.73 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.637 0.732 . . . . 0.0 111.115 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.449 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 54.0 Cg_endo -69.72 121.4 8.1 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.391 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -57.34 -34.28 68.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.0 ptp -43.57 -24.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HE3' ' CG ' ' A' ' 80' ' ' TRP . 38.6 mmtt -84.57 178.5 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -133.88 175.29 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -61.65 -33.92 74.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.34 -40.31 89.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -73.99 -53.84 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.1 mt -44.31 -55.87 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 tp -45.0 -56.98 4.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -49.37 -53.05 24.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.6 -18.63 54.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.47 ' CG2' HG11 ' A' ' 36' ' ' VAL . 10.8 mm -89.19 -39.66 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.02 -12.48 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -103.84 -48.92 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.402 HG21 ' N ' ' A' ' 33' ' ' THR . 4.8 m -66.65 -30.88 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.402 ' N ' HG21 ' A' ' 32' ' ' VAL . 65.9 p -134.22 117.49 16.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -89.46 113.78 25.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.53 13.38 2.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.47 HG11 ' CG2' ' A' ' 29' ' ' ILE . 1.3 m -80.81 147.6 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tp -102.55 -50.08 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -162.69 174.33 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 40' ' ' ILE . 24.7 t -128.31 141.14 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.447 ' N ' HG12 ' A' ' 39' ' ' VAL . 4.7 mp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.853 0.359 . . . . 0.0 110.865 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.57 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -155.0 152.64 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -102.2 140.58 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.46 ' CG2' HG13 ' A' ' 13' ' ' ILE . 2.3 t -124.58 104.75 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -86.33 129.14 34.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.427 ' CD1' ' HB1' ' A' ' 65' ' ' ALA . 84.1 m-85 -114.04 134.38 54.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.37 -49.24 78.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.2 t -90.8 122.26 33.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -48.7 -24.97 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 66' ' ' ALA . 23.9 tpp180 -85.65 -44.05 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.74 -34.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.427 ' HB1' ' CD1' ' A' ' 59' ' ' TYR . . . -83.57 -38.49 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.064 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.473 ' HA ' ' CH2' ' A' ' 88' ' ' TRP . . . -61.48 -42.82 99.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.08 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -83.66 -12.95 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.96 -42.34 16.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.483 ' HD2' ' N ' ' A' ' 70' ' ' ARG . 8.0 ppt_? -65.19 -36.43 84.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.483 ' N ' ' HD2' ' A' ' 69' ' ' ARG . 24.0 ptt85 -70.9 -8.43 52.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -94.34 -31.04 14.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.4 mt -107.17 3.4 25.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.624 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -63.24 -51.91 65.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.565 0.697 . . . . 0.0 110.9 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.8 Cg_endo -69.73 -3.73 12.58 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.71 25.5 74.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -65.98 -26.72 67.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.465 HG21 ' N ' ' A' ' 78' ' ' GLN . 4.8 mp -110.79 141.24 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.465 ' N ' HG21 ' A' ' 77' ' ' ILE . 43.0 mt-30 -123.82 143.27 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.555 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 96.5 mt -101.39 118.09 36.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.555 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.3 m-90 60.03 35.89 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.62 1.32 65.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -107.41 139.05 42.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.829 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.24 153.88 42.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.98 160.86 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.95 149.28 50.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 13' ' ' ILE . 20.7 m -122.48 123.24 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -129.17 149.63 50.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.473 ' CH2' ' HA ' ' A' ' 66' ' ' ALA . 17.0 m95 -64.74 109.41 2.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.909 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 62' ' ' HIS . 4.3 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 mtt85 -131.52 137.12 48.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.487 HD12 ' CE1' ' A' ' 59' ' ' TYR . 18.8 mt -93.9 140.85 29.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.519 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 55.8 t80 -85.99 102.1 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.587 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 12.0 mm -102.16 108.75 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.11 155.54 16.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.64 46.56 4.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.1 pt -118.71 151.95 50.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.575 0.702 . . . . 0.0 111.139 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.3 Cg_endo -69.81 148.68 65.27 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -84.94 -15.76 43.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.3 ptp -83.66 9.65 11.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -114.8 128.38 56.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -87.99 150.7 23.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.8 ptt85 -42.76 -45.93 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.17 -38.19 7.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -81.08 -40.41 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 53.3 mt -55.42 -47.9 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.425 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 3.7 tp -51.27 -62.45 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -45.15 -56.71 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.503 ' HG2' ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -51.16 -27.01 7.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.46 ' CG2' HG11 ' A' ' 57' ' ' VAL . 26.5 mm -86.26 -40.76 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.29 -14.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -104.11 -49.24 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.43 ' C ' HG22 ' A' ' 33' ' ' THR . 4.2 m -64.5 -30.44 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.43 HG22 ' C ' ' A' ' 32' ' ' VAL . 51.6 p -141.13 114.22 8.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -85.16 127.69 34.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.25 10.59 6.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.403 ' CG1' ' CE2' ' A' ' 59' ' ' TYR . 1.6 m -80.17 158.14 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 111.105 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tp -115.37 -48.66 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -164.36 160.95 21.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.425 ' CG2' ' HA ' ' A' ' 26' ' ' LEU . 41.7 t -119.41 136.44 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.408 ' N ' HG12 ' A' ' 39' ' ' VAL . 15.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 5.0 t80 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.848 0.356 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.527 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -146.77 162.68 38.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.404 ' CE1' ' HZ ' ' A' ' 54' ' ' PHE . 5.9 m-85 -116.65 137.98 51.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.46 HG11 ' CG2' ' A' ' 29' ' ' ILE . 3.1 t -121.61 107.2 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -85.8 122.73 30.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.559 ' CD1' ' HB2' ' A' ' 65' ' ' ALA . 70.4 m-85 -105.96 142.86 34.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.49 -50.4 65.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.7 t -96.38 124.3 40.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.586 ' CD2' ' SG ' ' A' ' 9' ' ' CYS . 8.9 t-80 -47.2 -31.57 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 tpp85 -73.64 -49.25 26.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.41 -33.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.559 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . . . -87.2 -35.11 18.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.45 80.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -89.82 -28.11 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.69 94.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.433 ' CZ ' ' NE1' ' A' ' 88' ' ' TRP . 5.0 ptm180 -63.78 -52.69 59.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 ttt85 -48.57 -19.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -79.34 -53.59 6.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 mt -90.66 7.44 39.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.626 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 6.5 ttm -63.9 -52.13 59.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.832 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.2 Cg_endo -69.8 -4.36 13.89 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.71 26.67 68.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.437 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.4 mmm-85 -67.93 -39.24 83.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mp -100.38 148.37 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -130.07 160.92 32.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.565 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 65.2 mt -115.79 119.31 35.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 3.7 m-90 54.18 45.0 28.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.08 2.75 14.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.425 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 20.1 m170 -101.6 132.66 47.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.743 0.306 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -64.9 130.82 44.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 pp -124.84 158.26 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.12 145.99 42.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 13' ' ' ILE . 15.8 m -113.15 131.2 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -141.61 163.18 33.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.433 ' NE1' ' CZ ' ' A' ' 69' ' ' ARG . 19.1 m95 -74.32 135.81 42.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.884 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.805 0.336 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -144.53 138.19 27.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 mt -98.63 140.45 32.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.523 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 47.1 t80 -88.34 104.78 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.539 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 10.5 mm -102.37 118.68 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.157 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.57 144.7 15.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.46 37.83 3.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.448 HD12 ' CB ' ' A' ' 55' ' ' ALA . 25.1 pt -118.2 151.48 49.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 111.111 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 130.33 19.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.238 . . . . 0.0 112.36 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 19' ' ' MET . 28.1 mttt -64.19 -49.95 70.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 18' ' ' LYS . 5.2 ptp -34.44 -38.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -59.93 170.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -130.63 150.27 51.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -39.8 -42.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 13.0 pt-20 -54.46 -51.18 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 4.6 mp0 -62.63 -48.46 79.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.4 mt -53.78 -56.67 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.049 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 tp -43.86 -57.34 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -51.28 -55.69 16.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.525 ' HG2' ' CE2' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -54.71 -23.0 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.448 ' CG2' HG12 ' A' ' 57' ' ' VAL . 12.8 mm -87.72 -40.03 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.39 -14.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -104.27 -50.21 3.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.475 HG23 ' N ' ' A' ' 33' ' ' THR . 4.0 m -64.56 -29.28 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.475 ' N ' HG23 ' A' ' 32' ' ' VAL . 41.6 p -141.12 116.22 9.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -87.57 128.19 35.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.79 16.68 4.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.425 HG12 ' CG2' ' A' ' 29' ' ' ILE . 1.2 m -85.02 151.8 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tp -109.56 -50.59 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -164.33 162.78 22.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 40' ' ' ILE . 15.4 t -115.66 147.32 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.436 ' N ' HG12 ' A' ' 39' ' ' VAL . 17.0 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.626 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.626 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -157.52 153.56 27.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -105.08 134.98 47.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.448 HG12 ' CG2' ' A' ' 29' ' ' ILE . 2.4 t -120.28 102.32 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -82.87 135.33 34.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.517 ' CD1' ' HB1' ' A' ' 65' ' ' ALA . 81.5 m-85 -120.24 134.13 55.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -54.71 -48.85 71.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.2 p -100.84 125.55 47.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -48.0 -30.93 4.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.3 tpp180 -73.19 -44.94 59.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.24 -27.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.517 ' HB1' ' CD1' ' A' ' 59' ' ' TYR . . . -89.13 -40.18 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.2 91.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.0 ptp -86.9 -18.48 30.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.51 -40.31 57.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -68.75 -46.92 67.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.463 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 12.0 ttt85 -52.7 -16.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -88.38 -38.62 14.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 mt -100.84 0.98 39.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.624 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -58.29 -52.08 77.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.539 0.685 . . . . 0.0 110.862 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.76 3.22 2.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.242 . . . . 0.0 112.333 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.51 18.6 63.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.5 mtp-105 -60.11 -34.6 73.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.745 0.307 . . . . 0.0 110.824 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.73 144.61 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -128.02 150.57 49.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.542 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 79.1 mt -109.56 115.75 30.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.542 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.3 m-90 58.62 39.31 24.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.24 3.55 57.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -103.74 132.05 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -66.0 138.7 57.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.428 HG22 ' CG2' ' A' ' 16' ' ' ILE . 2.5 pp -130.86 154.72 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.42 138.99 45.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 13' ' ' ILE . 16.6 m -104.76 135.48 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -137.87 151.98 48.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.436 ' O ' ' C ' ' A' ' 89' ' ' ALA . 5.1 m95 -70.21 102.11 2.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -125.99 136.24 52.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 mt -95.93 137.11 35.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.418 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 34.2 t80 -85.11 103.97 14.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.535 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 11.8 mm -101.81 117.5 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.28 136.28 9.05 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.545 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.58 -0.41 24.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.46 ' CG2' HG23 ' A' ' 84' ' ' ILE . 6.7 pt -77.78 145.63 70.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.63 0.729 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.8 Cg_endo -69.82 122.27 8.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.242 . . . . 0.0 112.372 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' LYS . 28.5 mttt -57.16 -34.43 68.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.456 ' CG ' ' HE2' ' A' ' 20' ' ' LYS . 5.6 ptp -43.48 -22.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HE3' ' CG ' ' A' ' 80' ' ' TRP . 32.4 mmtt -85.52 -177.73 6.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.65 155.27 45.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -42.87 -40.71 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.52 -39.65 88.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -75.94 -46.64 28.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 30.1 mt -52.32 -54.05 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 tp -44.39 -60.39 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -50.12 -50.22 49.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -62.2 -14.79 41.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.482 ' CG2' HG12 ' A' ' 36' ' ' VAL . 19.9 mm -95.86 -38.93 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.5 -12.87 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.94 -52.03 3.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 33' ' ' THR . 4.1 m -66.17 -23.24 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.466 ' N ' HG22 ' A' ' 32' ' ' VAL . 70.7 p -145.47 110.02 5.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -84.65 127.46 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.25 14.0 5.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.482 HG12 ' CG2' ' A' ' 29' ' ' ILE . 1.3 m -83.03 155.38 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 111.104 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 tp -113.56 -49.6 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -164.21 155.52 15.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 t -114.21 137.82 46.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.904 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.647 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.834 0.35 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.647 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -158.4 152.06 23.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -100.65 139.61 36.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.463 ' CG2' HG13 ' A' ' 13' ' ' ILE . 2.3 t -125.15 100.86 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -84.05 136.13 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.516 ' CD1' ' HB2' ' A' ' 65' ' ' ALA . 65.7 m-85 -119.94 136.62 54.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -55.31 -46.45 76.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.4 p -106.34 122.03 45.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -46.43 -24.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -75.73 -44.14 43.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.49 -31.02 9.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.516 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . . . -82.68 -42.23 18.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.03 82.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -75.56 -29.06 59.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.34 -53.6 41.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.511 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 6.0 ptm180 -57.37 -39.96 77.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.414 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 7.5 ttm105 -62.29 -8.92 6.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -100.12 -25.17 14.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.462 ' HB2' ' CG1' ' A' ' 86' ' ' VAL . 1.2 mt -112.43 1.69 16.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.623 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -60.15 -51.99 76.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 110.849 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.1 Cg_endo -69.77 -2.25 9.86 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.8 28.77 73.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -68.19 -32.8 73.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 78' ' ' GLN . 5.0 mp -100.13 137.56 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.464 ' N ' HG22 ' A' ' 77' ' ' ILE . 66.9 mt-30 -118.11 140.77 49.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.539 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 71.5 mt -101.11 118.74 37.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.539 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.0 m-90 60.39 35.39 20.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.79 1.99 68.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -108.63 137.79 45.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.742 0.306 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.42 154.24 42.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.46 HG23 ' CG2' ' A' ' 16' ' ' ILE . 2.2 pp -144.28 156.71 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.99 137.73 53.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 13' ' ' ILE . 15.6 m -113.15 119.21 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 88' ' ' TRP . 1.9 t70 -124.86 162.73 23.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.511 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 21.5 m95 -76.48 101.47 5.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.089 179.885 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -134.1 137.99 44.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.493 HD11 ' CE1' ' A' ' 59' ' ' TYR . 35.6 mt -98.98 139.22 34.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.505 ' CD1' ' CE2' ' A' ' 54' ' ' PHE . 62.7 t80 -85.24 102.13 13.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 21.3 mm -101.06 102.33 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.09 154.23 16.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.22 64.91 1.44 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.445 ' CG2' HG23 ' A' ' 84' ' ' ILE . 19.8 pt -142.47 153.7 62.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.463 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.4 Cg_endo -69.8 142.6 48.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' LYS . 28.9 mttt -76.42 -40.95 49.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.6 ptp -38.62 -26.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' LYS . 32.0 mmtt -76.11 -174.81 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -144.04 158.23 43.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -49.46 -38.2 28.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.4 -40.94 85.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.64 -46.64 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.4 mt -52.08 -48.95 41.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.442 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 4.0 tp -43.41 -59.84 1.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -49.07 -61.79 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.521 ' HG3' ' CE2' ' A' ' 80' ' ' TRP . 16.0 mm-40 -45.81 -26.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.5 mm -87.97 -39.75 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.61 -13.05 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -103.77 -49.25 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.402 ' C ' HG22 ' A' ' 33' ' ' THR . 3.9 m -64.8 -31.69 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.402 HG22 ' C ' ' A' ' 32' ' ' VAL . 44.8 p -139.75 115.52 10.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -86.1 126.88 34.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.82 12.73 4.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.432 HG12 ' CE2' ' A' ' 59' ' ' TYR . 2.3 m -83.45 135.6 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tp -92.2 -51.54 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -164.15 160.18 21.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 40' ' ' ILE . 89.6 t -111.37 136.33 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.462 ' N ' HG13 ' A' ' 39' ' ' VAL . 3.9 mp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.683 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.852 0.358 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.683 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -160.56 155.39 24.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -101.61 135.21 43.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 t -122.47 110.47 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -83.25 143.13 30.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.562 ' CD1' ' HB2' ' A' ' 65' ' ' ALA . 74.9 m-85 -126.01 126.07 43.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -53.78 -48.0 70.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 t -91.69 120.47 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -44.46 -33.48 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 65' ' ' ALA . 21.2 tpp180 -79.77 -43.36 22.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 68' ' ' ALA . . . -40.52 -27.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.562 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . . . -91.59 -43.71 9.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -59.27 -45.82 90.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -79.33 -23.04 43.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 64' ' ' ALA . . . -69.76 -29.99 67.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' MET . 10.4 ptt180 -78.62 -36.03 44.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -62.01 -8.45 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -99.27 -23.65 15.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 mt -116.91 1.37 12.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.619 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -60.67 -52.0 75.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.836 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.3 Cg_endo -69.85 -7.01 19.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.62 28.76 62.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -67.04 -36.95 83.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mp -101.49 146.88 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -126.51 153.61 44.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.563 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 80.7 mt -108.48 120.14 41.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.563 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.4 m-90 54.48 35.66 23.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.38 9.35 81.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -110.07 135.61 50.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.9 137.22 58.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.445 HG23 ' CG2' ' A' ' 16' ' ' ILE . 2.7 pp -130.9 154.35 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.66 147.01 50.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.446 HG13 ' CD1' ' A' ' 13' ' ' ILE . 17.4 m -116.79 125.13 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -131.66 166.38 21.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -79.45 112.28 16.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.1 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.458 ' CG ' ' HA ' ' A' ' 58' ' ' GLU . 30.5 mtm180 -142.97 141.63 31.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.6 mt -95.23 142.03 28.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.644 ' CD1' ' CE2' ' A' ' 54' ' ' PHE . 52.9 t80 -85.92 102.13 13.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.602 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 10.9 mm -100.51 105.32 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.83 146.33 18.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.63 46.21 3.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.9 pt -117.59 151.99 49.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.66 0.743 . . . . 0.0 111.082 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.479 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 54.0 Cg_endo -69.7 126.76 13.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -64.82 -39.38 93.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.9 ptp -41.5 -36.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 33.3 mmtt -76.35 173.54 11.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -134.05 165.65 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -47.83 -32.47 6.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.462 ' N ' ' HG2' ' A' ' 22' ' ' ARG . 14.9 pt-20 -68.9 -32.43 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -84.02 -37.03 22.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.5 mt -64.97 -55.25 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.435 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 3.6 tp -41.12 -54.25 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -53.6 -65.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -45.93 -21.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.444 ' CG2' HG11 ' A' ' 57' ' ' VAL . 10.6 mm -90.58 -41.5 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.39 -13.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.81 -50.29 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.467 HG23 ' N ' ' A' ' 33' ' ' THR . 5.8 m -64.03 -30.99 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.467 ' N ' HG23 ' A' ' 32' ' ' VAL . 38.9 p -137.67 117.35 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -89.13 119.28 29.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.82 16.25 1.83 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.477 ' CG1' ' CE2' ' A' ' 59' ' ' TYR . 2.5 m -85.16 157.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.863 0.364 . . . . 0.0 111.133 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tp -115.34 -48.65 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -164.42 161.36 21.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 26' ' ' LEU . 21.7 t -121.33 137.6 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.644 ' CE2' ' CD1' ' A' ' 12' ' ' PHE . 6.7 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.567 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -145.11 152.18 39.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -111.75 110.17 20.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.444 HG11 ' CG2' ' A' ' 29' ' ' ILE . 5.2 t -97.45 107.55 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.458 ' HA ' ' CG ' ' A' ' 10' ' ' ARG . 2.4 tt0 -86.57 117.93 25.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.477 ' CE2' ' CG1' ' A' ' 36' ' ' VAL . 88.7 m-85 -103.01 131.95 49.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -59.41 -48.45 81.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t -92.66 123.07 35.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -47.96 -30.68 4.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -78.95 -44.68 21.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.11 -27.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.453 ' HB1' ' CD1' ' A' ' 59' ' ' TYR . . . -88.91 -43.55 11.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.02 -48.17 82.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -76.28 -20.7 57.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.25 -46.07 52.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -63.39 -37.06 85.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -62.2 -8.06 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -98.07 -34.93 10.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 mt -104.83 4.92 32.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.629 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -61.1 -52.11 74.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.5 Cg_endo -69.77 -5.56 16.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.45 24.95 76.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -66.44 -31.46 72.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.467 HG21 ' N ' ' A' ' 78' ' ' GLN . 3.9 mp -100.71 139.69 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.467 ' N ' HG21 ' A' ' 77' ' ' ILE . 52.8 mt-30 -123.02 146.02 48.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.526 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 75.9 mt -107.83 118.5 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.526 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.9 m-90 60.37 35.3 20.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.54 1.4 65.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 15.4 m170 -105.34 138.11 42.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -73.77 142.91 46.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.41 HD13 ' C ' ' A' ' 84' ' ' ILE . 2.3 pp -136.02 160.52 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.87 155.29 48.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.476 HG13 ' CD1' ' A' ' 13' ' ' ILE . 14.5 m -123.33 120.95 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -125.71 170.91 11.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -83.63 104.33 13.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 179.909 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.8 0.334 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -137.51 140.23 41.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.458 HD12 ' CE1' ' A' ' 59' ' ' TYR . 24.2 mt -98.32 136.82 37.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.465 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 49.6 t80 -85.52 102.3 13.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.6 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 11.2 mm -100.12 115.62 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.1 143.69 16.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.12 45.73 2.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.46 HD12 ' CB ' ' A' ' 55' ' ' ALA . 10.9 pt -121.59 151.02 56.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 0.0 111.089 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.419 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.6 Cg_endo -69.73 130.08 18.75 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.686 2.258 . . . . 0.0 112.336 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -68.3 -44.47 75.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 18' ' ' LYS . 21.0 ptp -34.97 -38.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 43.7 mmtt -64.65 -176.96 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -140.52 159.91 41.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -48.18 -44.49 32.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.18 -35.63 71.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.09 -52.85 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.3 mt -49.09 -48.27 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 tp -51.45 -59.93 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -49.23 -43.36 42.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' HG3' ' CE2' ' A' ' 80' ' ' TRP . 35.5 mm-40 -65.52 -23.85 66.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.434 ' CG2' HG12 ' A' ' 57' ' ' VAL . 15.7 mm -86.21 -40.6 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.26 -13.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt -104.66 -50.09 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 33' ' ' THR . 10.5 m -67.41 -24.85 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.413 ' N ' HG23 ' A' ' 32' ' ' VAL . 58.2 p -145.14 114.73 7.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -86.4 128.48 34.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.14 13.87 5.23 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.419 HG13 ' CG2' ' A' ' 29' ' ' ILE . 1.7 m -85.34 155.86 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 tp -114.92 -49.25 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -160.22 160.6 32.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.4 t -123.24 132.47 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.638 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.871 0.367 . . . . 0.0 110.909 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.638 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -158.39 151.49 22.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -101.11 141.04 34.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.462 ' CG2' HG13 ' A' ' 13' ' ' ILE . 2.7 t -126.42 104.27 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.159 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -83.21 133.97 34.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.458 ' CE1' HD12 ' A' ' 11' ' ' LEU . 89.8 m-85 -117.66 128.0 54.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -58.57 -44.55 89.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 t -88.99 123.29 33.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.427 ' O ' ' ND1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -47.87 -32.83 6.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -83.9 -41.45 17.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -37.36 -36.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.4 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . . . -78.77 -45.89 20.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.03 72.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -87.79 -24.05 23.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.67 -30.84 63.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.589 ' CZ ' ' CE ' ' A' ' 73' ' ' MET . 0.1 OUTLIER -81.23 -46.72 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.447 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -52.04 -19.27 1.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -86.42 -45.44 11.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mt -89.33 -3.23 58.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.627 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 3.3 ttt -59.13 -51.84 78.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.601 0.715 . . . . 0.0 110.927 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.76 3.46 2.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.12 26.42 63.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -67.45 -30.41 70.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mp -106.3 147.42 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -129.42 145.96 51.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.565 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 65.9 mt -102.21 116.29 32.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.4 m-90 59.35 36.95 23.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.16 3.99 71.54 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -107.6 134.42 50.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.723 0.297 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -68.05 148.6 50.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 pp -138.47 155.45 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.48 144.1 51.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.466 HG13 ' CD1' ' A' ' 13' ' ' ILE . 28.4 m -112.84 133.06 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -137.04 154.67 50.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -70.1 112.46 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.063 179.879 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.851 0.358 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -144.9 142.73 30.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' A' ' 59' ' ' TYR . 60.9 mt -102.57 141.74 34.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.445 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 37.4 t80 -88.42 102.22 14.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.589 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 19.7 mm -101.91 111.93 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.76 154.11 17.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.92 -9.92 51.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.405 HD12 ' C ' ' A' ' 54' ' ' PHE . 13.6 pt -67.9 151.58 97.08 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 0.0 111.159 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.516 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.7 Cg_endo -69.74 138.57 38.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.294 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' LYS . 13.8 mtmt -65.63 -52.09 54.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.0 ptp -38.14 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 18' ' ' LYS . 9.0 mptt -72.64 152.5 41.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -109.39 172.43 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -61.93 -48.29 81.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -48.09 -42.7 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -69.94 -51.83 29.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 30.3 mt -47.02 -56.56 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tp -46.53 -62.25 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -52.09 -57.06 10.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.467 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 10.1 tp10 -53.05 -17.2 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.7 mm -94.76 -38.99 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.48 -12.94 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 1.8 ptpm? -97.39 -54.96 2.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.409 HG12 ' CG2' ' A' ' 77' ' ' ILE . 34.8 m -63.54 -29.97 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.8 p -137.84 113.14 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -88.18 123.1 32.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.02 15.1 1.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 m -83.96 154.69 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.373 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tp -112.9 -49.71 2.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -164.02 160.31 21.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.3 t -114.79 137.11 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.684 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.684 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -159.93 151.65 20.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -103.59 128.11 50.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -115.49 108.21 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -82.08 138.0 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CE1' HD12 ' A' ' 11' ' ' LEU . 65.0 m-85 -120.3 129.76 54.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 61' ' ' SER . 12.6 pt-20 -55.39 -47.97 75.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 32.2 t -94.4 127.31 40.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -51.94 -26.71 11.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -83.26 -42.52 17.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.09 -27.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.14 -43.04 11.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.03 -52.12 66.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.8 ptp -71.35 -23.34 61.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.72 -44.16 64.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 73' ' ' MET . 4.4 ptm180 -66.59 -43.82 83.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -54.51 -14.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -89.17 -40.64 12.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.8 mt -100.0 1.22 42.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.619 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -58.28 -52.23 76.07 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.72 0.97 4.85 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.733 2.288 . . . . 0.0 112.316 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.57 33.26 86.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -73.93 -33.5 63.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.453 HG21 ' N ' ' A' ' 78' ' ' GLN . 4.9 mp -103.26 139.06 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.453 ' N ' HG21 ' A' ' 77' ' ' ILE . 72.5 mt-30 -117.34 147.58 42.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.57 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 81.5 mt -102.92 114.53 28.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.57 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 2.7 m-90 58.53 41.7 22.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.9 7.04 58.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.516 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 10.4 m170 -109.15 138.16 45.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -67.17 143.5 56.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.6 pp -137.1 154.58 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -137.5 140.34 41.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.467 HG11 ' CD1' ' A' ' 13' ' ' ILE . 3.8 m -107.65 132.41 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -135.55 157.03 47.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -74.11 111.06 8.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.872 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.8 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.88 0.372 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HG2' ' CA ' ' A' ' 58' ' ' GLU . 28.5 mtm105 -139.05 145.48 39.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.564 HD11 ' CE1' ' A' ' 59' ' ' TYR . 48.0 mt -98.61 139.79 33.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -85.21 102.07 13.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.6 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 17.0 mm -102.76 105.49 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.0 147.53 18.92 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.54 54.32 1.35 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.9 pt -137.29 149.63 66.37 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.631 0.729 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.7 Cg_endo -69.76 129.52 17.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.339 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' LYS . 39.0 mttt -59.27 -38.82 81.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.7 ptp -38.17 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.483 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 21.8 mmtt -70.97 172.7 8.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 24' ' ' GLU . 25.6 mtmt -138.13 143.32 40.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' LYS . 24.8 ptt180 -37.29 -37.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -65.06 -42.67 93.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 21' ' ' LYS . 3.8 mm-40 -73.85 -58.12 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.6 mt -39.58 -53.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.4 tp -43.26 -60.7 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -46.44 -54.81 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.515 ' HG3' ' CE2' ' A' ' 80' ' ' TRP . 20.6 mm-40 -57.19 -19.25 19.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.8 mm -92.96 -37.76 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.191 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.52 -12.42 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -102.64 -46.47 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.472 HG22 ' N ' ' A' ' 33' ' ' THR . 4.3 m -68.21 -29.32 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.472 ' N ' HG22 ' A' ' 32' ' ' VAL . 43.3 p -140.25 115.32 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -87.61 122.21 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.56 16.74 2.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.417 ' CG1' ' CE2' ' A' ' 59' ' ' TYR . 1.4 m -84.63 156.61 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.9 tp -115.36 -49.78 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -164.32 169.15 17.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 40' ' ' ILE . 9.4 t -122.02 145.67 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.43 ' N ' HG11 ' A' ' 39' ' ' VAL . 16.7 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.553 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -150.1 155.83 40.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.405 ' CE1' ' HZ ' ' A' ' 54' ' ' PHE . 5.7 m-85 -108.25 133.15 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.4 t -117.41 106.2 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.443 ' CA ' ' HG2' ' A' ' 10' ' ' ARG . 4.9 tt0 -85.4 123.79 31.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CE1' HD11 ' A' ' 11' ' ' LEU . 58.4 m-85 -106.27 141.06 38.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 61' ' ' SER . 12.3 pt-20 -66.89 -50.19 63.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 39.3 t -88.67 118.16 28.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -43.84 -34.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -76.89 -44.28 32.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 68' ' ' ALA . . . -43.07 -31.85 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.22 -43.68 13.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -59.66 -48.37 81.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -78.17 -13.26 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 64' ' ' ALA . . . -81.31 -23.86 37.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.536 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 3.6 ptm180 -86.42 -40.53 15.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -60.06 -10.53 4.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -95.7 -34.58 11.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.8 mt -102.17 2.1 36.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.631 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -65.14 -51.51 54.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.864 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.78 3.55 2.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.2 30.03 76.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.497 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -69.25 -36.17 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.451 HG23 ' N ' ' A' ' 78' ' ' GLN . 4.9 mp -103.87 146.55 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.478 ' NE2' ' HA ' ' A' ' 83' ' ' GLN . 24.6 mm-40 -123.35 161.09 25.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.566 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 39.6 mt -117.63 118.51 32.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.0 m-90 52.95 45.85 27.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.14 6.67 27.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -108.76 144.42 36.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.478 ' HA ' ' NE2' ' A' ' 78' ' ' GLN . 33.4 tt0 -69.66 149.55 47.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.5 pp -143.19 152.6 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.37 138.0 44.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.458 HG13 ' CD1' ' A' ' 13' ' ' ILE . 15.8 m -107.33 133.49 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.83 164.18 28.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.536 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 17.3 m95 -79.95 112.25 17.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.871 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.763 0.316 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -137.95 135.01 35.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.8 mt -99.14 139.11 35.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -86.16 104.65 15.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.578 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 8.6 mm -104.55 111.98 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.33 145.86 16.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.52 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.47 37.89 4.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.2 pt -111.23 152.57 43.89 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.662 0.744 . . . . 0.0 111.108 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 133.98 26.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' MET . 18.0 mttp -66.02 -50.7 63.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' LYS . 10.5 ptp -37.5 -35.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -62.92 167.72 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -126.44 165.52 18.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 23' ' ' GLU . 34.9 ptt180 -58.89 -47.85 83.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 9.1 pt-20 -53.65 -31.26 46.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -81.12 -45.95 15.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.0 mt -51.41 -54.83 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 tp -46.31 -53.94 9.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.82 -60.36 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.46 ' HG3' ' CE2' ' A' ' 80' ' ' TRP . 26.9 mm-40 -50.63 -22.29 1.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.444 HG23 ' CG1' ' A' ' 57' ' ' VAL . 8.5 mm -89.74 -37.86 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.54 -12.65 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.8 -51.19 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.444 HG21 ' N ' ' A' ' 33' ' ' THR . 3.7 m -66.26 -30.53 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.444 ' N ' HG21 ' A' ' 32' ' ' VAL . 50.9 p -134.3 113.22 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -87.85 124.15 33.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.04 10.79 5.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.406 HG11 ' CG2' ' A' ' 29' ' ' ILE . 1.1 m -80.37 151.84 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.143 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tp -109.3 -50.51 2.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -163.3 162.43 25.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.5 t -116.56 137.7 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.606 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.606 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -153.07 157.16 40.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -106.57 139.35 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.473 ' CG2' HG13 ' A' ' 13' ' ' ILE . 5.6 t -122.74 109.32 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -86.58 136.54 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.523 ' CD1' ' HB1' ' A' ' 65' ' ' ALA . 78.8 m-85 -122.78 128.63 50.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 61' ' ' SER . 11.7 pt-20 -56.34 -48.97 75.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 4.1 m -88.25 114.86 25.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -42.66 -30.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -82.98 -38.14 23.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.468 ' O ' ' CB ' ' A' ' 68' ' ' ALA . . . -45.64 -27.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.067 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HB1' ' CD1' ' A' ' 59' ' ' TYR . . . -92.48 -37.02 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.6 93.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -89.43 -12.74 39.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 64' ' ' ALA . . . -82.32 -18.42 42.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -82.23 -36.6 27.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -65.65 -8.3 19.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -95.89 -19.32 19.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.463 ' CD1' HG13 ' A' ' 86' ' ' VAL . 1.6 mt -124.06 4.51 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.625 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -65.76 -52.03 45.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.525 0.679 . . . . 0.0 110.883 179.816 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.79 -2.57 10.41 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.35 21.83 78.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -62.43 -34.68 77.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.74 147.85 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -127.99 150.06 50.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.473 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 26.3 mt -103.55 113.01 26.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.473 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.5 m-90 59.46 37.88 22.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.71 3.25 66.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -105.97 133.13 51.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.718 0.294 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -61.48 141.28 57.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.99 154.67 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.85 144.79 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.146 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 72' ' ' LEU . 13.5 m -118.78 125.25 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -139.49 164.83 28.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -68.8 127.06 31.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 179.935 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -137.78 144.31 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.2 mt -97.43 138.17 35.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CD1' ' HB2' ' A' ' 87' ' ' ASP . 34.3 t80 -84.98 102.15 12.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 24.0 mm -99.64 108.41 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.171 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.94 147.35 18.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.1 60.36 1.26 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.2 pt -136.4 149.87 68.95 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 111.116 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.497 ' HD2' ' CE3' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.73 126.31 13.18 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 19' ' ' MET . 37.7 mttt -61.68 -45.18 95.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.7 ptp -33.5 -40.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 29.8 mmtt -63.97 -174.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.19 158.79 43.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -46.09 -43.99 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -56.99 -36.82 70.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -76.46 -51.55 11.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.9 mt -49.48 -49.49 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 tp -49.99 -58.48 5.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -53.93 -54.14 42.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.522 ' HG2' ' CE2' ' A' ' 80' ' ' TRP . 1.1 mp0 -54.0 -19.65 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.0 mm -95.62 -36.98 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.82 -11.93 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.069 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.44 -50.33 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.0 m -67.12 -33.89 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.5 p -135.06 112.82 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -87.07 133.9 33.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.22 2.72 10.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 m -69.97 153.64 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tp -112.95 -48.79 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -162.87 160.55 25.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 40' ' ' ILE . 42.7 t -118.84 136.35 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.47 ' N ' HG13 ' A' ' 39' ' ' VAL . 15.6 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.619 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.619 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -151.9 160.43 43.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -112.28 141.33 46.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.4 t -127.01 108.26 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -86.36 123.46 31.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.436 ' CD1' ' HB3' ' A' ' 65' ' ' ALA . 80.7 m-85 -105.34 135.15 47.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -56.81 -51.86 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.8 m -94.24 131.96 39.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -56.3 -21.81 26.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -83.59 -43.9 15.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 68' ' ' ALA . . . -46.43 -30.5 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.436 ' HB3' ' CD1' ' A' ' 59' ' ' TYR . . . -84.11 -42.94 15.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.49 -46.06 91.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.408 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 1.6 ptp -80.88 -12.53 59.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 64' ' ' ALA . . . -85.46 -19.07 31.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 73' ' ' MET . 14.9 ptt85 -89.67 -41.13 12.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' ' 67' ' ' MET . 2.6 ptp85 -58.6 -12.14 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -93.16 -31.68 14.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.453 ' HB2' ' CG1' ' A' ' 86' ' ' VAL . 7.6 mt -107.19 2.07 24.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.631 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -63.19 -51.9 65.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.887 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.74 1.26 4.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.71 28.07 72.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -69.35 -37.31 77.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 78' ' ' GLN . 4.4 mp -104.72 136.43 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.47 ' N ' HG22 ' A' ' 77' ' ' ILE . 23.0 mm-40 -116.61 169.33 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.563 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 92.5 mt -121.17 118.12 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.563 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.7 m-90 59.67 31.61 20.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.87 4.93 83.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -104.51 135.75 45.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.751 0.31 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -59.84 139.3 57.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 pp -136.35 153.52 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.96 139.94 36.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 13' ' ' ILE . 19.3 m -103.7 138.45 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.4 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . 11.3 m-20 -139.22 157.58 45.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -73.61 114.17 11.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.881 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -133.73 146.38 50.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.553 HD13 ' CE1' ' A' ' 59' ' ' TYR . 18.8 mt -105.37 140.14 38.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.437 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 47.0 t80 -88.14 102.02 14.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.553 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 8.6 mm -100.92 111.2 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.32 150.94 17.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.95 28.29 8.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.1 pt -106.41 153.44 40.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.669 0.747 . . . . 0.0 111.115 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 159.67 52.51 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.237 . . . . 0.0 112.331 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 20' ' ' LYS . 2.8 mptt -88.44 -55.63 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.3 ptp -38.13 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' LYS . 7.2 mptt -74.93 154.84 37.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -118.52 167.5 11.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -54.92 -47.04 74.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -47.55 -34.16 7.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -83.53 -43.75 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.7 mt -58.91 -54.59 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.446 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 5.1 tp -44.36 -55.03 5.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -53.43 -64.0 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' HB3' ' CD2' ' A' ' 79' ' ' LEU . 35.5 mm-40 -45.25 -22.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.479 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 13.4 mm -90.23 -39.01 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.31 -14.22 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -104.32 -51.08 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' ' 29' ' ' ILE . 18.7 m -65.76 -26.68 39.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.9 p -143.64 108.47 4.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -82.61 134.39 35.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.17 15.03 7.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.469 HG13 ' CG2' ' A' ' 29' ' ' ILE . 1.1 m -83.75 157.92 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.148 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tp -117.66 -48.3 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -164.16 158.53 19.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.466 HG11 ' N ' ' A' ' 40' ' ' ILE . 75.9 t -116.98 135.78 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.466 ' N ' HG11 ' A' ' 39' ' ' VAL . 11.1 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.638 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 1.3 t80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.865 0.365 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.638 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -157.53 152.7 25.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -105.13 147.83 27.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.1 t -130.51 104.6 10.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -86.56 120.15 27.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.553 ' CE1' HD13 ' A' ' 11' ' ' LEU . 66.2 m-85 -104.2 135.04 46.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.81 -42.48 97.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -91.91 124.05 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -46.55 -33.66 4.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' ALA . 3.1 tpt180 -84.21 -40.77 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.466 ' O ' ' CB ' ' A' ' 68' ' ' ALA . . . -38.16 -26.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.507 ' HB1' ' CD1' ' A' ' 59' ' ' TYR . . . -91.87 -41.19 10.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -65.91 -42.85 89.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -82.27 -11.76 58.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 64' ' ' ALA . . . -87.72 -27.31 22.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.427 ' CA ' HG22 ' A' ' 86' ' ' VAL . 12.0 ptt85 -78.13 -39.93 39.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -54.49 -14.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -91.6 -41.23 10.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.421 ' HB2' ' CG1' ' A' ' 86' ' ' VAL . 4.0 mt -98.15 5.65 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.624 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -64.68 -52.0 54.53 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.557 0.694 . . . . 0.0 110.875 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.9 Cg_endo -69.74 -9.6 26.5 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.04 31.55 61.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -73.41 -35.84 65.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.439 HG23 ' N ' ' A' ' 78' ' ' GLN . 5.2 mp -96.52 138.54 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.439 ' N ' HG23 ' A' ' 77' ' ' ILE . 39.7 mt-30 -120.8 146.65 46.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.424 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 31.8 mt -107.8 119.2 38.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.424 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.3 m-90 60.94 32.77 19.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.4 -1.28 71.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -103.58 136.43 43.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.718 0.294 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -70.15 146.68 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 pp -135.97 155.45 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.1 136.32 43.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 13' ' ' ILE . 15.5 m -101.38 132.27 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.41 149.03 49.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 89' ' ' ALA . 6.1 m95 -63.68 104.77 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -133.04 135.21 45.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 59' ' ' TYR . 26.3 mt -96.43 140.86 30.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.482 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 47.8 t80 -87.59 101.94 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 15.6 mm -99.31 104.88 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.71 157.97 14.59 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.27 45.33 5.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -121.74 151.59 57.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 111.085 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 128.57 16.19 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.653 2.235 . . . . 0.0 112.334 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 19' ' ' MET . 36.5 mttt -55.75 -54.39 45.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 18' ' ' LYS . 8.4 ptp -34.14 -42.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HE3' ' CD1' ' A' ' 80' ' ' TRP . 6.6 mptt -62.72 147.14 50.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -118.48 168.37 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -49.88 -40.05 41.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -53.42 -49.07 68.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -73.3 -49.37 27.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.5 mt -51.08 -57.11 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 tp -45.21 -58.85 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.02 -39.77 82.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.549 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -67.46 -20.0 65.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.2 mm -95.67 -35.75 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.38 -7.28 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -100.97 -48.32 4.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.467 ' CG1' HG22 ' A' ' 77' ' ' ILE . 25.4 m -72.27 -28.86 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.414 ' N ' HG23 ' A' ' 32' ' ' VAL . 40.3 p -137.97 111.34 8.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -85.8 125.99 33.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.1 9.36 3.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.514 ' CG1' ' CE2' ' A' ' 59' ' ' TYR . 2.6 m -80.47 158.59 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 111.121 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tp -118.03 -47.97 2.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -163.88 160.5 22.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 40' ' ' ILE . 90.0 t -118.13 137.32 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.402 ' N ' HG12 ' A' ' 39' ' ' VAL . 4.7 mp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.868 0.366 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.605 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -153.85 155.92 36.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.407 ' CD2' ' HE1' ' A' ' 54' ' ' PHE . 5.9 m-85 -109.83 146.12 35.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.2 t -129.01 112.05 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -87.87 115.04 25.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.56 ' CE1' HD12 ' A' ' 11' ' ' LEU . 71.6 m-85 -97.06 134.36 40.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.98 -49.42 77.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -91.49 121.18 32.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -46.1 -35.01 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -76.69 -42.75 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.491 ' O ' ' CB ' ' A' ' 68' ' ' ALA . . . -42.64 -33.57 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.488 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . . . -84.66 -42.16 15.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.13 91.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -82.05 -29.29 31.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 64' ' ' ALA . . . -64.0 -33.83 76.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.465 ' CA ' HG21 ' A' ' 86' ' ' VAL . 20.4 ptt85 -73.88 -40.26 63.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 44.8 ttt-85 -56.65 -14.04 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -92.19 -30.53 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.41 ' HB2' ' CG1' ' A' ' 86' ' ' VAL . 15.2 mt -107.6 -0.27 22.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.634 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -61.08 -51.85 76.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.565 0.698 . . . . 0.0 110.925 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.9 Cg_endo -69.77 2.04 3.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.66 25.7 65.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.8 mtm105 -67.36 -33.03 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.467 HG22 ' CG1' ' A' ' 32' ' ' VAL . 4.0 mp -101.35 148.33 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.404 ' N ' HG23 ' A' ' 77' ' ' ILE . 45.2 mt-30 -130.97 155.2 47.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.563 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 75.1 mt -112.92 122.87 48.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.563 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.1 m-90 53.71 40.05 30.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.97 6.43 56.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -105.32 136.64 44.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.723 0.297 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.28 133.32 49.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.456 HG22 ' CD1' ' A' ' 79' ' ' LEU . 2.8 pp -127.51 154.96 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.15 142.32 35.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 13' ' ' ILE . 15.9 m -106.01 133.52 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.414 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . 8.5 m-20 -133.69 156.74 47.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -75.44 110.55 9.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.765 0.317 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -141.39 142.57 33.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 59' ' ' TYR . 41.2 mt -99.84 137.6 38.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -84.87 101.56 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 21.9 mm -100.87 108.32 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.81 150.53 18.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.22 52.06 2.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.437 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.5 pt -127.28 151.56 74.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 111.115 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 129.45 17.67 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -57.79 -45.61 85.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.418 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 9.9 ptp -46.67 -25.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.522 ' HG2' ' CD2' ' A' ' 80' ' ' TRP . 5.8 mptt -84.39 116.93 23.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.476 ' HE3' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -83.12 173.64 11.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.2 ptt85 -57.62 -39.59 77.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.49 -40.3 65.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.24 -46.84 21.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.1 mt -54.11 -56.91 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tp -44.22 -65.93 0.45 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -50.52 -46.69 57.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.551 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -61.8 -18.25 59.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 29' ' ' ILE . 9.3 mm -96.31 -36.9 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.42 -7.77 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -101.49 -48.78 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.456 HG22 ' N ' ' A' ' 33' ' ' THR . 27.3 m -71.28 -30.62 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.456 ' N ' HG22 ' A' ' 32' ' ' VAL . 42.2 p -137.55 109.69 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.6 134.84 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.65 10.17 7.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 m -78.4 161.53 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 111.147 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tp -121.95 -48.38 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -164.32 146.75 8.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.0 t -110.16 131.27 61.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.914 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.615 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.94 0.4 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.615 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -151.61 157.71 42.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.404 ' CD1' ' HZ ' ' A' ' 54' ' ' PHE . 5.0 m-85 -111.58 135.8 51.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.1 t -120.87 108.93 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -85.22 125.75 33.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.571 ' CE1' HD12 ' A' ' 11' ' ' LEU . 69.8 m-85 -108.6 133.52 52.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -61.67 -44.68 96.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 m -93.32 124.68 37.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -49.84 -32.52 14.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -80.37 -41.78 24.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 68' ' ' ALA . . . -42.32 -30.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.6 -45.26 11.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.82 88.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -82.29 -10.89 58.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 64' ' ' ALA . . . -86.26 -19.41 29.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 73' ' ' MET . 3.5 ptm180 -88.38 -44.18 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -53.87 -15.54 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -87.44 -38.7 15.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.6 mt -103.78 1.83 32.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.623 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -61.1 -52.12 73.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.822 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.8 Cg_endo -69.76 3.0 3.02 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.371 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.69 33.44 85.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.5 mtt-85 -72.7 -48.46 38.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.477 HG21 ' N ' ' A' ' 78' ' ' GLN . 4.7 mp -92.29 142.35 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.477 ' N ' HG21 ' A' ' 77' ' ' ILE . 90.2 mt-30 -122.06 157.07 32.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.571 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 97.6 mt -109.07 116.99 33.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.571 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.5 m-90 58.16 41.06 24.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.71 8.71 60.92 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -108.58 137.13 47.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.68 139.46 57.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.6 pp -134.42 153.39 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.53 146.52 42.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.41 HG12 ' CD1' ' A' ' 13' ' ' ILE . 3.5 m -110.49 138.24 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -137.39 151.5 48.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.413 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 17.8 m95 -70.58 115.65 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -140.77 133.26 28.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.463 HD12 ' CE1' ' A' ' 59' ' ' TYR . 32.5 mt -94.64 133.99 37.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.582 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 48.1 t80 -84.97 102.37 13.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.561 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 6.3 mm -102.16 115.67 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.8 143.38 14.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.462 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.93 36.94 2.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.526 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.7 pt -113.8 153.75 45.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.736 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 144.39 53.87 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 19' ' ' MET . 33.6 mttt -71.79 -54.01 11.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 18' ' ' LYS . 14.8 ptp -34.94 -37.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -62.48 176.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -142.89 167.68 21.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -56.68 -46.15 81.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -50.81 -39.98 54.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.88 -51.34 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.9 mt -48.12 -56.31 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 tp -42.39 -63.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -47.21 -55.23 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -54.03 -22.08 9.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.464 ' CG2' HG11 ' A' ' 57' ' ' VAL . 21.9 mm -90.13 -40.64 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.81 -13.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -104.48 -49.55 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.424 ' C ' HG21 ' A' ' 33' ' ' THR . 6.0 m -65.35 -30.02 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.424 HG21 ' C ' ' A' ' 32' ' ' VAL . 62.8 p -141.24 112.23 7.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -84.15 127.54 33.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.42 8.21 6.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 m -78.31 155.19 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 111.137 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tp -113.46 -49.45 2.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -163.22 161.19 24.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 40' ' ' ILE . 18.0 t -120.75 142.81 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.442 ' N ' HG12 ' A' ' 39' ' ' VAL . 4.5 mp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.647 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.909 0.385 . . . . 0.0 110.818 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.647 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -155.96 158.53 38.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.065 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.26 129.98 55.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.464 HG11 ' CG2' ' A' ' 29' ' ' ILE . 2.2 t -117.01 104.78 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -83.02 139.79 33.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CD1' ' HB3' ' A' ' 65' ' ' ALA . 84.1 m-85 -124.99 128.99 49.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -56.57 -48.38 77.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.8 t -90.15 115.27 27.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -42.9 -28.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -84.42 -41.69 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.06 -33.42 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.469 ' HB3' ' CD1' ' A' ' 59' ' ' TYR . . . -82.6 -44.61 15.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.66 -36.12 71.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -87.64 -26.08 23.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.66 -35.62 70.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.461 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -74.93 -37.39 62.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.461 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 59.1 ttt180 -60.2 -10.41 4.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -98.57 -33.07 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.434 ' HB2' ' CG1' ' A' ' 86' ' ' VAL . 19.0 mt -98.04 -4.87 35.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.64 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -59.01 -51.47 81.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.526 0.679 . . . . 0.0 110.9 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.4 Cg_endo -69.82 4.07 2.43 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.245 . . . . 0.0 112.348 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.97 22.48 48.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.454 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -64.51 -23.44 67.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 78' ' ' GLN . 4.6 mp -109.9 137.67 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.437 ' N ' HG22 ' A' ' 77' ' ' ILE . 47.8 mt-30 -120.18 136.97 54.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.523 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 85.5 mt -96.35 117.13 30.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.523 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.3 m-90 59.67 37.83 22.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.78 2.58 65.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -108.47 137.34 46.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.683 0.278 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -73.56 150.62 41.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.0 pp -139.31 163.11 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -133.18 148.32 52.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.085 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.434 ' CG1' ' HB2' ' A' ' 72' ' ' LEU . 31.2 m -114.22 133.14 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.083 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -135.31 156.7 48.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -79.76 95.06 5.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.462 ' NE ' HD11 ' A' ' 40' ' ' ILE . 67.9 mtt180 -128.13 130.04 47.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.511 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 56.9 mt -93.64 136.11 34.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -84.9 101.8 12.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 18.1 mm -100.67 102.46 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.61 147.99 17.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.491 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.13 47.95 2.52 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.4 pt -126.44 152.81 74.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.593 0.711 . . . . 0.0 111.148 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.484 ' HD2' ' CZ3' ' A' ' 80' ' ' TRP . 53.6 Cg_endo -69.79 130.38 19.2 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 19' ' ' MET . 56.2 mttt -69.19 -44.39 72.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 18' ' ' LYS . 8.3 ptp -36.25 -38.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 45.8 mmtt -63.31 175.91 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.57 155.53 43.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -47.33 -37.44 11.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.95 -38.73 92.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -72.74 -43.57 62.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 24.4 mt -55.82 -58.61 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.434 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 4.2 tp -40.79 -54.14 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.06 -61.25 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.512 ' HG3' ' CE2' ' A' ' 80' ' ' TRP . 29.2 mm-40 -47.84 -20.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.1 mm -93.61 -39.23 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.62 -12.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -100.37 -52.11 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.457 HG21 ' N ' ' A' ' 33' ' ' THR . 5.0 m -65.03 -23.81 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.457 ' N ' HG21 ' A' ' 32' ' ' VAL . 52.1 p -145.74 120.47 9.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -93.18 129.15 39.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.11 15.69 4.17 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.458 HG13 ' CE2' ' A' ' 59' ' ' TYR . 1.5 m -83.34 155.91 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tp -114.21 -49.42 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -162.6 163.98 26.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 26' ' ' LEU . 13.6 t -120.96 138.16 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.462 HD11 ' NE ' ' A' ' 10' ' ' ARG . 4.9 mp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.635 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.635 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -156.44 160.96 40.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.403 ' CE1' ' HZ ' ' A' ' 54' ' ' PHE . 5.8 m-85 -115.59 140.83 48.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.39 110.45 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -88.8 114.83 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CE1' ' CD1' ' A' ' 11' ' ' LEU . 57.1 m-85 -95.09 142.99 26.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 61' ' ' SER . 15.1 pt-20 -60.46 -50.19 74.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 31.0 t -100.67 126.81 47.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -48.48 -28.51 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 64' ' ' ALA . 2.7 tmm_? -74.31 -52.08 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.49 ' N ' ' HD2' ' A' ' 63' ' ' ARG . . . -44.14 -22.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.56 -42.83 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -60.89 -42.31 97.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -81.19 -25.73 36.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.82 69.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 73' ' ' MET . 1.8 ptp180 -77.7 -43.69 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -55.77 -13.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -91.67 -32.02 15.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.16 4.64 21.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.621 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 4.8 ttm -65.9 -52.15 43.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.574 0.702 . . . . 0.0 110.839 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.5 Cg_endo -69.71 2.09 3.81 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.466 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . 64.51 34.42 89.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -74.82 -34.16 62.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.32 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.1 mp -111.17 144.33 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 75' ' ' GLY . 29.0 mm-40 -122.38 171.49 9.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.559 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 90.6 mt -121.23 113.9 20.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.8 m-90 61.27 31.83 19.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.48 0.21 83.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -100.09 133.3 44.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -60.66 136.31 58.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.6 pp -131.31 153.43 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.16 147.5 47.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.445 HG11 ' CD1' ' A' ' 13' ' ' ILE . 19.7 m -113.09 127.68 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.47 158.48 39.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.458 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 19.6 m95 -78.35 100.06 6.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.082 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -134.66 146.95 50.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.41 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 91.0 mt -104.27 141.28 36.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.57 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 59.7 t80 -84.95 102.15 12.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.59 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 15.6 mm -100.02 110.2 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.4 154.7 16.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.96 26.07 13.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.514 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.3 pt -98.71 152.79 38.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 111.113 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.463 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.4 Cg_endo -69.79 148.66 65.39 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' MET . 63.0 mttt -71.46 -57.17 4.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.8 ptp -37.72 -33.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -70.52 153.05 43.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -125.11 158.49 33.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.412 ' HA ' ' CD1' ' A' ' 25' ' ' ILE . 16.6 ptt85 -43.82 -46.96 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -45.84 -52.74 10.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.67 -44.66 77.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 22' ' ' ARG . 43.9 mt -49.03 -53.02 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 tp -48.01 -63.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -48.62 -43.82 36.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.506 ' HG3' ' CE2' ' A' ' 80' ' ' TRP . 30.6 mm-40 -66.99 -20.66 65.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.463 ' CG2' HG11 ' A' ' 57' ' ' VAL . 8.2 mm -89.36 -41.8 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.57 -11.08 1.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -103.72 -48.8 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 33' ' ' THR . 10.2 m -70.95 -23.8 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.449 ' N ' HG23 ' A' ' 32' ' ' VAL . 44.4 p -145.75 109.5 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -83.36 129.53 35.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.12 4.87 8.29 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.512 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 m -74.09 154.73 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 tp -114.51 -49.75 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -163.63 157.57 19.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.6 t -113.79 138.11 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.903 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.664 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -152.1 163.92 38.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -116.71 131.94 56.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.831 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.471 ' CG2' HG13 ' A' ' 13' ' ' ILE . 3.1 t -117.21 109.55 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -87.42 131.12 34.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.499 ' CD1' ' HB3' ' A' ' 65' ' ' ALA . 58.7 m-85 -114.17 133.02 55.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.7 -48.19 81.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 t -88.37 117.35 27.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -38.43 -37.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' ALA . 3.5 tpt180 -78.34 -44.51 24.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 63' ' ' ARG . . . -36.6 -32.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.499 ' HB3' ' CD1' ' A' ' 59' ' ' TYR . . . -83.94 -41.85 16.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -66.25 -51.11 60.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.1 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.6 ptp -70.59 -12.43 61.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.37 -36.56 19.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.561 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 0.9 OUTLIER -73.77 -37.38 65.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 13.9 ttm180 -61.24 -8.98 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -96.2 -31.63 12.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 mt -107.56 -3.58 19.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.621 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -53.77 -52.17 69.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.86 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.8 Cg_endo -69.73 -6.26 18.16 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.365 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.81 29.07 67.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -70.45 -27.75 64.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.308 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 78' ' ' GLN . 5.0 mp -110.21 139.8 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.455 ' N ' HG22 ' A' ' 77' ' ' ILE . 77.6 mt-30 -120.82 156.79 31.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.519 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 95.5 mt -110.84 117.37 33.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.519 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.6 m-90 57.99 35.08 24.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.25 3.74 77.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 11.8 m170 -103.44 134.44 46.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.711 0.291 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -65.29 134.16 53.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 pp -129.6 154.39 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.62 148.97 49.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.457 HG12 ' CD1' ' A' ' 13' ' ' ILE . 14.7 m -117.06 126.19 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -127.0 153.99 45.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.561 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 10.7 m95 -70.04 102.49 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.048 179.891 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 9' ' ' CYS . 1.8 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -129.76 150.27 51.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -105.0 137.45 42.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.517 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 60.3 t80 -84.75 102.2 12.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 8.6 mm -103.06 114.48 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.4 145.04 15.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.1 17.27 16.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.0 pt -93.18 151.12 40.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 111.154 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.9 Cg_endo -69.73 133.08 24.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -62.27 -50.51 71.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.462 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 19.8 ptp -37.98 -37.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' CD ' ' HG3' ' A' ' 19' ' ' MET . 6.4 mptt -65.75 155.88 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -118.78 164.36 15.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -53.16 -43.76 67.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.1 -37.79 62.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.67 -50.63 12.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.8 mt -47.24 -55.19 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -44.37 -56.27 4.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -58.65 -50.98 71.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.455 ' CD ' ' NE1' ' A' ' 80' ' ' TRP . 4.7 tp10 -56.61 -21.28 25.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.479 ' CG2' HG11 ' A' ' 57' ' ' VAL . 10.3 mm -92.5 -40.86 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.37 -11.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -103.37 -48.28 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.429 HG11 ' CG2' ' A' ' 77' ' ' ILE . 27.0 m -68.86 -29.42 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.43 ' CG2' HD13 ' A' ' 72' ' ' LEU . 69.2 p -140.22 112.75 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -85.22 130.65 34.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.62 18.05 4.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 m -87.48 158.38 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.7 tp -115.64 -48.25 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -163.56 170.32 17.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.76 139.78 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.5 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.89 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.621 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.621 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -154.48 157.59 38.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.403 ' CE1' ' HZ ' ' A' ' 54' ' ' PHE . 7.1 m-85 -110.33 140.67 44.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.479 HG11 ' CG2' ' A' ' 29' ' ' ILE . 2.3 t -126.11 107.1 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.27 134.35 33.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.451 ' CD1' ' HB1' ' A' ' 65' ' ' ALA . 51.7 m-85 -114.8 137.41 51.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 61' ' ' SER . 16.6 pt-20 -62.77 -49.08 76.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.417 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 58.6 m -86.77 119.93 27.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -45.79 -34.01 3.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 63' ' ' ARG . 0.4 OUTLIER -79.53 -40.71 28.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.6 -41.14 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 59' ' ' TYR . . . -75.92 -30.63 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.81 -37.43 67.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -86.54 -30.96 21.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.57 -41.32 89.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' MET . 3.0 ppt_? -69.89 -37.46 76.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -60.48 -9.28 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -98.31 -29.91 12.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.43 HD13 ' CG2' ' A' ' 33' ' ' THR . 4.6 mt -108.09 -2.62 19.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.648 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -55.52 -51.16 82.35 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 110.91 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.76 3.65 2.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.9 23.04 50.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.476 ' NE ' ' HB2' ' A' ' 74' ' ' PRO . 3.0 mpt_? -65.79 -38.64 89.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 78' ' ' GLN . 4.7 mp -92.46 134.81 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.433 ' N ' HG22 ' A' ' 77' ' ' ILE . 93.9 mt-30 -115.5 146.91 41.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.537 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 95.8 mt -103.42 112.73 25.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TRP . . . . . 0.537 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 2.7 m-90 58.76 30.93 20.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.94 2.79 90.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.488 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 11.8 m170 -105.35 129.13 53.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -63.79 142.27 58.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.436 HG23 ' CD1' ' A' ' 79' ' ' LEU . 2.4 pp -135.19 152.95 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.86 138.15 46.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.087 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.447 HG13 ' CD1' ' A' ' 13' ' ' ILE . 15.6 m -106.75 130.37 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -134.41 155.3 50.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -72.02 105.82 4.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.058 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -49.3 155.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -80.27 151.42 29.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.69 -70.56 0.14 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.454 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 t 39.59 42.63 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -61.85 117.99 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.63 -124.69 0.77 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -52.99 172.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 m -125.62 128.76 48.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -131.97 137.77 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.634 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 66.3 mt -97.37 136.72 37.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.517 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 60.1 t80 -85.23 102.17 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.59 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 22.1 mm -101.36 107.17 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.86 146.4 18.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.44 53.63 0.99 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.447 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.5 pt -137.8 150.69 68.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.657 0.741 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.453 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 54.2 Cg_endo -69.78 139.89 41.24 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -67.5 -29.35 68.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.6 ptp -47.58 -21.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.503 ' HE3' ' CG ' ' A' ' 80' ' ' TRP . 26.3 mmtt -93.01 154.87 17.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLU . 4.9 mtmm -122.67 153.09 39.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 21' ' ' LYS . 16.7 ptt85 -34.73 -33.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' LYS . 12.4 mt-10 -61.19 -48.89 79.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 21' ' ' LYS . 29.2 mm-40 -70.11 -49.9 46.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 34.1 mt -46.95 -56.03 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.439 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 3.6 tp -43.51 -54.91 4.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.78 -63.68 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.51 ' HG2' ' CE2' ' A' ' 80' ' ' TRP . 1.2 mp0 -46.63 -21.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.437 ' CG2' HG11 ' A' ' 57' ' ' VAL . 10.1 mm -91.6 -39.23 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.23 -12.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -103.07 -49.47 3.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.469 HG22 ' N ' ' A' ' 33' ' ' THR . 5.8 m -65.61 -29.55 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.469 ' N ' HG22 ' A' ' 32' ' ' VAL . 30.4 p -140.22 121.32 14.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -91.79 127.67 37.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.65 14.75 4.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.418 HG11 ' CE2' ' A' ' 59' ' ' TYR . 1.7 m -84.8 132.45 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.6 tp -90.16 -50.88 5.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -162.26 162.59 28.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 40' ' ' ILE . 25.6 t -116.51 138.84 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.46 ' N ' HG13 ' A' ' 39' ' ' VAL . 4.3 mp -118.47 146.46 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 p -122.21 135.2 63.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -100.54 111.38 23.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 46' ' ' ALA . . . -172.23 157.77 4.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 46' ' ' ALA . 2.3 m -76.59 94.68 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 39.44 25.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.481 ' N ' ' O ' ' A' ' 44' ' ' SER . . . -173.78 124.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.54 -39.78 85.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -95.79 45.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 15.9 ttm -102.87 -51.22 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -102.08 10.48 39.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 60.48 45.42 10.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -86.12 131.46 34.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.08 66.16 0.29 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.624 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -161.02 168.21 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.624 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -155.83 156.49 34.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.4 ' CD1' ' HZ ' ' A' ' 54' ' ' PHE . 8.5 m-85 -108.06 137.44 46.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.437 HG11 ' CG2' ' A' ' 29' ' ' ILE . 2.5 t -122.37 110.89 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -87.59 129.49 35.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.634 ' CE1' ' CD1' ' A' ' 11' ' ' LEU . 77.4 m-85 -111.85 127.27 55.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -53.06 -49.83 65.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.6 t -88.82 122.63 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -46.22 -33.06 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 65' ' ' ALA . 9.3 tpp85 -81.45 -42.67 20.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.61 -27.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.535 ' HB1' ' CD1' ' A' ' 59' ' ' TYR . . . -91.68 -39.77 11.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -62.89 -38.72 92.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -88.97 -12.08 42.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.27 -22.37 30.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.066 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 73' ' ' MET . 18.8 ptt85 -82.92 -37.56 24.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -62.36 -7.91 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -94.47 -30.13 14.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.6 mt -109.51 -6.42 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.63 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -54.1 -51.98 72.56 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.927 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.76 -2.27 9.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.43 28.31 73.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -71.38 -30.18 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.441 ' CG2' HG13 ' A' ' 32' ' ' VAL . 4.7 mp -107.76 129.69 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -113.41 153.86 27.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.544 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 96.8 mt -107.44 116.28 31.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.544 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.8 m-90 59.67 29.12 18.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.21 1.36 90.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.458 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -103.06 134.58 46.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.81 141.84 58.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.4 pp -133.73 154.12 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.89 144.86 50.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.464 HG11 ' CD1' ' A' ' 13' ' ' ILE . 20.7 m -112.15 127.86 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -130.53 155.09 47.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -72.73 107.44 5.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.3 -70.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -51.31 120.86 15.47 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.651 0.738 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -49.06 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.35 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -155.51 106.65 2.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -88.59 -176.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -93.15 31.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 96' ' ' ASP . 21.1 m -64.43 -42.66 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.449 ' N ' HG23 ' A' ' 95' ' ' VAL . 5.8 m-20 -41.47 -45.71 3.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -85.72 -66.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -114.54 106.91 14.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.8 p -120.48 -20.55 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 47.4 mtm -102.11 174.03 6.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 41.01 49.26 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 73.0 p -55.1 117.31 3.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 83.9 t -123.15 141.59 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.4 t -116.55 61.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.33 85.88 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 107' ' ' SER . 54.3 Cg_endo -69.75 2.75 3.24 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.724 2.283 . . . . 0.0 112.344 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 106' ' ' PRO . 32.9 t -35.5 -55.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.818 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.9 p -122.0 113.41 19.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.519 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 3' ' ' SER . 35.3 t -92.32 -57.76 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' SER . 24.6 p -35.84 148.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.79 169.42 30.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 m -85.75 145.24 27.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -89.25 104.94 17.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.88 74.21 0.37 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -158.12 119.36 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.19 117.15 29.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -134.49 138.42 44.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.57 HD13 ' CE1' ' A' ' 59' ' ' TYR . 50.8 mt -94.54 138.69 32.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.653 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 58.2 t80 -85.56 102.67 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.586 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 23.1 mm -97.8 106.16 18.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -116.41 147.74 18.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.18 31.92 6.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.6 pt -105.52 151.37 39.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.646 0.736 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.57 17.83 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 19' ' ' MET . 38.3 mttt -58.44 -53.9 53.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.435 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 24.0 ptp -35.87 -40.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.435 ' CD ' ' HG3' ' A' ' 19' ' ' MET . 7.2 mptt -64.46 151.88 43.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.56 -179.07 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -68.78 -46.39 68.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -51.59 -37.46 49.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -74.99 -49.61 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.0 mt -54.83 -45.1 74.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 tp -54.0 -56.14 20.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -60.93 -40.89 94.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.493 ' HG3' ' CE2' ' A' ' 80' ' ' TRP . 19.1 mm-40 -66.74 -17.9 65.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.6 mm -97.02 -38.42 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.28 -10.71 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -100.16 -47.54 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.3 m -71.31 -26.85 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 41.0 p -142.62 112.36 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -86.21 134.12 33.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.44 7.41 8.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.455 HG13 ' CE2' ' A' ' 59' ' ' TYR . 1.5 m -77.05 159.41 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 111.169 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 tp -120.62 -49.16 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -161.25 147.91 14.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 40' ' ' ILE . 70.1 t -111.35 133.92 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.417 ' N ' HG12 ' A' ' 39' ' ' VAL . 5.2 mp -108.03 143.34 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.5 p -114.61 123.53 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -100.77 129.75 46.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 44' ' ' SER . . . -171.66 165.96 6.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.104 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' ALA . 35.2 t -34.69 -40.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 46' ' ' ALA . . . -134.13 177.41 7.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.076 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . -34.26 -50.71 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -175.0 118.6 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -138.67 155.63 48.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -57.41 -12.76 2.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -96.43 22.82 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -38.55 155.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -63.68 -60.52 3.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.67 33.48 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.653 ' CE2' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -159.96 168.74 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.642 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -155.02 153.66 31.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.401 ' CD1' ' HZ ' ' A' ' 54' ' ' PHE . 6.5 m-85 -107.28 147.84 29.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.0 t -130.31 107.16 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -83.89 121.6 27.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.57 ' CE1' HD13 ' A' ' 11' ' ' LEU . 83.6 m-85 -104.93 126.86 52.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 61' ' ' SER . 15.7 pt-20 -56.09 -47.02 78.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 9.3 t -90.31 119.6 30.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.538 ' CD2' HG13 ' A' ' 95' ' ' VAL . 5.3 t-80 -44.33 -35.17 2.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -79.04 -41.1 29.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.471 ' O ' ' CB ' ' A' ' 68' ' ' ALA . . . -42.75 -26.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.452 ' HB3' ' CD1' ' A' ' 59' ' ' TYR . . . -91.81 -42.9 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.421 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -59.22 -48.46 81.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.3 ptp -79.14 -14.38 59.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 64' ' ' ALA . . . -82.62 -23.58 34.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.55 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 2.9 ptm180 -83.86 -39.33 20.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -63.3 -8.09 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -95.23 -32.52 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.7 mt -106.01 -3.1 22.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.636 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -56.34 -51.83 77.87 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.568 0.699 . . . . 0.0 110.882 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.0 Cg_endo -69.79 3.31 2.86 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.672 2.248 . . . . 0.0 112.364 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.43 27.7 61.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.0 mmt-85 -68.23 -33.48 74.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.442 HG21 ' N ' ' A' ' 78' ' ' GLN . 4.6 mp -99.5 135.21 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.442 ' N ' HG21 ' A' ' 77' ' ' ILE . 80.6 mt-30 -118.79 145.03 45.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.547 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 39.8 mt -103.44 121.31 42.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.547 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 3.5 m-90 55.38 35.37 24.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.82 4.79 77.75 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -107.14 136.01 47.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -69.29 148.49 49.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.5 pp -142.3 152.92 18.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.86 145.22 51.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 13' ' ' ILE . 18.9 m -113.21 127.18 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -128.68 154.28 46.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.55 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 18.0 m95 -69.88 107.03 3.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.45 -57.79 6.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -106.65 135.9 19.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -51.01 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -150.36 114.36 5.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.408 ' CG2' ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -109.78 -176.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.177 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.408 ' H ' ' CG2' ' A' ' 93' ' ' ILE . 16.4 t0 -95.42 37.28 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.538 HG13 ' CD2' ' A' ' 62' ' ' HIS . 20.5 m -65.54 -29.0 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.472 ' N ' HG22 ' A' ' 95' ' ' VAL . 9.7 p-10 -60.82 -39.62 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -94.39 -53.89 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -129.19 110.12 11.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.3 p -117.23 -24.62 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -102.22 171.09 7.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -113.1 146.99 38.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.1 t -125.44 167.87 14.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.6 t -118.22 96.97 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 m -163.23 164.88 24.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -126.9 65.84 0.56 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -25.7 28.24 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 m -124.78 163.68 21.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.9 p -96.78 125.41 41.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -118.12 177.94 4.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -113.29 134.39 54.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.69 76.05 0.28 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -147.17 172.44 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.944 0.402 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -57.11 -48.94 77.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.75 -156.88 24.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -133.5 97.06 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.25 118.09 35.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.7 mtm-85 -138.15 147.34 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 19.8 mt -107.93 136.57 47.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.458 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 42.9 t80 -85.94 102.55 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.468 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 9.9 mm -101.36 117.97 47.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.06 148.56 17.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.65 -5.22 47.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.425 HD13 ' CB ' ' A' ' 55' ' ' ALA . 13.7 pt -72.5 147.38 89.73 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.637 0.732 . . . . 0.0 111.115 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.449 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 54.0 Cg_endo -69.72 121.4 8.1 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.391 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -57.34 -34.28 68.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.0 ptp -43.57 -24.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HE3' ' CG ' ' A' ' 80' ' ' TRP . 38.6 mmtt -84.57 178.5 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -133.88 175.29 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -61.65 -33.92 74.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.34 -40.31 89.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -73.99 -53.84 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.1 mt -44.31 -55.87 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 tp -45.0 -56.98 4.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -49.37 -53.05 24.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.6 -18.63 54.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.47 ' CG2' HG11 ' A' ' 36' ' ' VAL . 10.8 mm -89.19 -39.66 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.02 -12.48 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -103.84 -48.92 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.402 HG21 ' N ' ' A' ' 33' ' ' THR . 4.8 m -66.65 -30.88 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.402 ' N ' HG21 ' A' ' 32' ' ' VAL . 65.9 p -134.22 117.49 16.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -89.46 113.78 25.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.53 13.38 2.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.47 HG11 ' CG2' ' A' ' 29' ' ' ILE . 1.3 m -80.81 147.6 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tp -102.55 -50.08 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -162.69 174.33 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 40' ' ' ILE . 24.7 t -128.31 141.14 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.447 ' N ' HG12 ' A' ' 39' ' ' VAL . 4.7 mp -119.32 149.2 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.438 ' CG1' ' O ' ' A' ' 41' ' ' VAL . 11.1 p -140.35 111.73 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.515 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 1.3 p90 -156.08 161.61 40.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 44' ' ' SER . . . -174.1 -175.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.065 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 43' ' ' ALA . 3.0 m -34.55 -40.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.07 174.53 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.05 174.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -78.86 47.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -99.08 176.88 5.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 13.7 ptm -53.74 -16.74 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -87.92 14.44 8.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -93.32 131.05 38.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -41.46 150.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.15 71.5 1.73 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -152.04 164.69 36.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.359 . . . . 0.0 110.865 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.57 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -155.0 152.64 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -102.2 140.58 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.46 ' CG2' HG13 ' A' ' 13' ' ' ILE . 2.3 t -124.58 104.75 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -86.33 129.14 34.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.427 ' CD1' ' HB1' ' A' ' 65' ' ' ALA . 84.1 m-85 -114.04 134.38 54.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.37 -49.24 78.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.2 t -90.8 122.26 33.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -48.7 -24.97 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 66' ' ' ALA . 23.9 tpp180 -85.65 -44.05 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.74 -34.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.427 ' HB1' ' CD1' ' A' ' 59' ' ' TYR . . . -83.57 -38.49 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.064 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.473 ' HA ' ' CH2' ' A' ' 88' ' ' TRP . . . -61.48 -42.82 99.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.08 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -83.66 -12.95 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.96 -42.34 16.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.483 ' HD2' ' N ' ' A' ' 70' ' ' ARG . 8.0 ppt_? -65.19 -36.43 84.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.483 ' N ' ' HD2' ' A' ' 69' ' ' ARG . 24.0 ptt85 -70.9 -8.43 52.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -94.34 -31.04 14.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.4 mt -107.17 3.4 25.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.624 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -63.24 -51.91 65.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.565 0.697 . . . . 0.0 110.9 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.8 Cg_endo -69.73 -3.73 12.58 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.71 25.5 74.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -65.98 -26.72 67.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.465 HG21 ' N ' ' A' ' 78' ' ' GLN . 4.8 mp -110.79 141.24 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.465 ' N ' HG21 ' A' ' 77' ' ' ILE . 43.0 mt-30 -123.82 143.27 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.555 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 96.5 mt -101.39 118.09 36.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.555 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.3 m-90 60.03 35.89 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.62 1.32 65.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -107.41 139.05 42.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.829 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.24 153.88 42.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.98 160.86 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.95 149.28 50.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 13' ' ' ILE . 20.7 m -122.48 123.24 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -129.17 149.63 50.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.473 ' CH2' ' HA ' ' A' ' 66' ' ' ALA . 17.0 m95 -64.74 109.41 2.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.6 -55.59 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.68 141.86 60.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.24 . . . . 0.0 112.325 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -162.34 109.59 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -105.51 -177.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -91.59 36.75 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 96' ' ' ASP . 10.6 m -71.73 -31.57 42.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.468 ' N ' HG23 ' A' ' 95' ' ' VAL . 12.5 t70 -62.09 -48.45 80.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -81.23 -61.65 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -129.07 105.95 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.9 p -92.4 -39.41 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 27.2 mtt -71.77 164.12 26.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -102.79 141.66 35.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 71.4 p -128.36 152.45 48.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.6 p -126.71 79.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.4 p -45.48 -57.94 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.82 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.58 83.44 1.2 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 107' ' ' SER . 53.7 Cg_endo -69.77 84.86 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.266 . . . . 0.0 112.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 106' ' ' PRO . 4.1 m -35.56 -54.39 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.9 t -65.11 -62.0 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.549 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 m -59.49 -59.12 5.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -62.86 152.22 36.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.19 -158.62 9.87 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 m -118.77 -62.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -90.22 95.53 10.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.41 112.57 1.11 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -43.36 163.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 62' ' ' HIS . 4.3 m -104.22 118.84 37.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 mtt85 -131.52 137.12 48.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.487 HD12 ' CE1' ' A' ' 59' ' ' TYR . 18.8 mt -93.9 140.85 29.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.519 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 55.8 t80 -85.99 102.1 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.587 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 12.0 mm -102.16 108.75 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.11 155.54 16.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.64 46.56 4.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.1 pt -118.71 151.95 50.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.575 0.702 . . . . 0.0 111.139 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.3 Cg_endo -69.81 148.68 65.27 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -84.94 -15.76 43.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.3 ptp -83.66 9.65 11.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -114.8 128.38 56.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -87.99 150.7 23.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.8 ptt85 -42.76 -45.93 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.17 -38.19 7.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -81.08 -40.41 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 53.3 mt -55.42 -47.9 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.425 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 3.7 tp -51.27 -62.45 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -45.15 -56.71 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.503 ' HG2' ' CE2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -51.16 -27.01 7.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.46 ' CG2' HG11 ' A' ' 57' ' ' VAL . 26.5 mm -86.26 -40.76 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.29 -14.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -104.11 -49.24 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.43 ' C ' HG22 ' A' ' 33' ' ' THR . 4.2 m -64.5 -30.44 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.43 HG22 ' C ' ' A' ' 32' ' ' VAL . 51.6 p -141.13 114.22 8.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -85.16 127.69 34.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.25 10.59 6.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.403 ' CG1' ' CE2' ' A' ' 59' ' ' TYR . 1.6 m -80.17 158.14 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 111.105 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tp -115.37 -48.66 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -164.36 160.95 21.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.425 ' CG2' ' HA ' ' A' ' 26' ' ' LEU . 41.7 t -119.41 136.44 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.408 ' N ' HG12 ' A' ' 39' ' ' VAL . 15.0 mt -119.67 126.03 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 41' ' ' VAL . 12.6 p -115.48 102.68 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -158.11 158.52 34.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 44' ' ' SER . . . -163.31 177.94 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.101 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' ALA . 95.5 p -36.74 -40.38 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.19 -75.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -172.84 116.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' ALA . 1.9 p30 37.79 30.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ALA . 12.3 mtpp 41.29 54.56 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -15.45 42.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -89.47 -32.55 17.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 52' ' ' ARG . 2.2 t-20 -102.1 167.62 9.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 51' ' ' ASN . 24.6 ptt180 -33.91 -46.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.74 135.89 5.13 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 5.0 t80 -136.82 162.51 33.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.913 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.527 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -146.77 162.68 38.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.404 ' CE1' ' HZ ' ' A' ' 54' ' ' PHE . 5.9 m-85 -116.65 137.98 51.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.46 HG11 ' CG2' ' A' ' 29' ' ' ILE . 3.1 t -121.61 107.2 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -85.8 122.73 30.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.559 ' CD1' ' HB2' ' A' ' 65' ' ' ALA . 70.4 m-85 -105.96 142.86 34.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.49 -50.4 65.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.7 t -96.38 124.3 40.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.586 ' CD2' ' SG ' ' A' ' 9' ' ' CYS . 8.9 t-80 -47.2 -31.57 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 tpp85 -73.64 -49.25 26.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.41 -33.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.559 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . . . -87.2 -35.11 18.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.45 80.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -89.82 -28.11 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.69 94.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.433 ' CZ ' ' NE1' ' A' ' 88' ' ' TRP . 5.0 ptm180 -63.78 -52.69 59.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 ttt85 -48.57 -19.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -79.34 -53.59 6.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 mt -90.66 7.44 39.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.626 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 6.5 ttm -63.9 -52.13 59.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.832 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.2 Cg_endo -69.8 -4.36 13.89 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.71 26.67 68.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.437 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.4 mmm-85 -67.93 -39.24 83.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mp -100.38 148.37 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -130.07 160.92 32.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.565 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 65.2 mt -115.79 119.31 35.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 3.7 m-90 54.18 45.0 28.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.08 2.75 14.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.425 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 20.1 m170 -101.6 132.66 47.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.743 0.306 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -64.9 130.82 44.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 pp -124.84 158.26 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.12 145.99 42.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 13' ' ' ILE . 15.8 m -113.15 131.2 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -141.61 163.18 33.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.433 ' NE1' ' CZ ' ' A' ' 69' ' ' ARG . 19.1 m95 -74.32 135.81 42.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.41 35.65 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -145.87 138.13 13.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.604 0.716 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.24 . . . . 0.0 112.327 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -160.32 109.89 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -114.68 -176.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -85.66 40.23 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.472 HG21 ' N ' ' A' ' 96' ' ' ASP . 17.1 m -67.83 -24.48 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.11 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.472 ' N ' HG21 ' A' ' 95' ' ' VAL . 29.5 t70 -61.33 -33.26 73.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -108.84 -65.16 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -120.84 113.63 20.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.1 p -94.13 -35.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 38.0 mtm -65.76 161.84 19.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -78.64 114.48 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.8 t -165.58 -179.64 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.3 t -95.93 -56.92 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.4 t -154.61 153.2 30.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.72 84.18 0.38 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 128.7 16.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 t -116.56 96.12 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 80.5 p -87.46 154.79 20.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -127.78 161.88 27.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.356 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.0 m -131.35 -57.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.51 144.08 11.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -106.65 141.98 37.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -63.51 -53.08 57.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.06 -62.66 2.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -67.85 134.85 51.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.74 133.54 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -144.53 138.19 27.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.2 mt -98.63 140.45 32.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.523 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 47.1 t80 -88.34 104.78 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.539 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 10.5 mm -102.37 118.68 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.157 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.57 144.7 15.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.46 37.83 3.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.448 HD12 ' CB ' ' A' ' 55' ' ' ALA . 25.1 pt -118.2 151.48 49.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 111.111 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 130.33 19.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.238 . . . . 0.0 112.36 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 19' ' ' MET . 28.1 mttt -64.19 -49.95 70.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 18' ' ' LYS . 5.2 ptp -34.44 -38.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -59.93 170.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -130.63 150.27 51.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -39.8 -42.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 13.0 pt-20 -54.46 -51.18 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 4.6 mp0 -62.63 -48.46 79.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.4 mt -53.78 -56.67 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.049 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 tp -43.86 -57.34 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -51.28 -55.69 16.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.525 ' HG2' ' CE2' ' A' ' 80' ' ' TRP . 0.4 OUTLIER -54.71 -23.0 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.448 ' CG2' HG12 ' A' ' 57' ' ' VAL . 12.8 mm -87.72 -40.03 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.39 -14.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -104.27 -50.21 3.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.475 HG23 ' N ' ' A' ' 33' ' ' THR . 4.0 m -64.56 -29.28 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.475 ' N ' HG23 ' A' ' 32' ' ' VAL . 41.6 p -141.12 116.22 9.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -87.57 128.19 35.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.79 16.68 4.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.425 HG12 ' CG2' ' A' ' 29' ' ' ILE . 1.2 m -85.02 151.8 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tp -109.56 -50.59 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -164.33 162.78 22.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 40' ' ' ILE . 15.4 t -115.66 147.32 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.436 ' N ' HG12 ' A' ' 39' ' ' VAL . 17.0 mt -129.54 135.47 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.096 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 41' ' ' VAL . 13.0 p -132.18 107.26 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.544 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 1.6 p90 -159.41 162.3 35.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 44' ' ' SER . . . -168.5 177.88 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.069 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' ALA . 25.0 t -35.52 -54.72 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.76 -73.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -172.77 117.57 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 40.89 30.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.417 ' CG ' ' HB2' ' A' ' 51' ' ' ASN . 28.3 mtmt 45.31 52.1 9.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 19.9 mtt -52.09 -39.14 59.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.828 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -90.61 -36.25 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.417 ' HB2' ' CG ' ' A' ' 48' ' ' LYS . 68.3 m-20 -82.28 174.34 11.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -56.59 146.39 25.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.21 136.48 25.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.626 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -153.74 168.09 27.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.626 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -157.52 153.56 27.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -105.08 134.98 47.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.448 HG12 ' CG2' ' A' ' 29' ' ' ILE . 2.4 t -120.28 102.32 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -82.87 135.33 34.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.517 ' CD1' ' HB1' ' A' ' 65' ' ' ALA . 81.5 m-85 -120.24 134.13 55.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -54.71 -48.85 71.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.2 p -100.84 125.55 47.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -48.0 -30.93 4.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.3 tpp180 -73.19 -44.94 59.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.24 -27.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.517 ' HB1' ' CD1' ' A' ' 59' ' ' TYR . . . -89.13 -40.18 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.2 91.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.0 ptp -86.9 -18.48 30.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.51 -40.31 57.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -68.75 -46.92 67.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.463 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 12.0 ttt85 -52.7 -16.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -88.38 -38.62 14.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.7 mt -100.84 0.98 39.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.624 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -58.29 -52.08 77.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.539 0.685 . . . . 0.0 110.862 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.76 3.22 2.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.242 . . . . 0.0 112.333 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.51 18.6 63.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.5 mtp-105 -60.11 -34.6 73.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.745 0.307 . . . . 0.0 110.824 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.73 144.61 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -128.02 150.57 49.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.542 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 79.1 mt -109.56 115.75 30.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.542 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.3 m-90 58.62 39.31 24.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.24 3.55 57.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -103.74 132.05 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -66.0 138.7 57.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.428 HG22 ' CG2' ' A' ' 16' ' ' ILE . 2.5 pp -130.86 154.72 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.42 138.99 45.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 13' ' ' ILE . 16.6 m -104.76 135.48 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -137.87 151.98 48.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.436 ' O ' ' C ' ' A' ' 89' ' ' ALA . 5.1 m95 -70.21 102.11 2.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . -35.31 -48.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -109.43 138.61 20.59 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -51.56 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.234 . . . . 0.0 112.4 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -135.04 95.12 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -87.13 177.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.62 35.88 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 96' ' ' ASP . 34.3 m -75.7 -39.49 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.45 ' N ' HG23 ' A' ' 95' ' ' VAL . 4.5 m-20 -59.98 -32.42 70.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.26 -52.23 4.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -134.66 98.5 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 100' ' ' MET . 8.2 p -98.52 -41.15 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.4 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 3.8 ptp -92.71 178.07 5.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -115.67 147.99 40.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 37.8 p -136.35 174.09 11.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 85.6 t -123.67 123.69 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 t -121.96 121.5 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 106.1 83.56 1.64 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 130.52 19.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.3 m -128.91 121.63 28.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 m -65.79 151.77 45.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -50.43 134.08 23.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 p -165.22 164.07 20.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.01 -41.18 18.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.7 m -43.76 -52.81 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 p -52.28 -53.28 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.79 -114.68 6.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -67.42 133.1 48.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 110.917 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.89 118.81 25.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -125.99 136.24 52.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 mt -95.93 137.11 35.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.418 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 34.2 t80 -85.11 103.97 14.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.535 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 11.8 mm -101.81 117.5 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.28 136.28 9.05 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.545 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.58 -0.41 24.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.46 ' CG2' HG23 ' A' ' 84' ' ' ILE . 6.7 pt -77.78 145.63 70.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.63 0.729 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.8 Cg_endo -69.82 122.27 8.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.242 . . . . 0.0 112.372 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' CE ' ' O ' ' A' ' 51' ' ' ASN . 28.5 mttt -57.16 -34.43 68.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.456 ' CG ' ' HE2' ' A' ' 20' ' ' LYS . 5.6 ptp -43.48 -22.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.52 ' HE3' ' CG ' ' A' ' 80' ' ' TRP . 32.4 mmtt -85.52 -177.73 6.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.65 155.27 45.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.5 ptt180 -42.87 -40.71 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.52 -39.65 88.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -75.94 -46.64 28.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 30.1 mt -52.32 -54.05 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 tp -44.39 -60.39 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -50.12 -50.22 49.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -62.2 -14.79 41.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.482 ' CG2' HG12 ' A' ' 36' ' ' VAL . 19.9 mm -95.86 -38.93 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.5 -12.87 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.94 -52.03 3.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 33' ' ' THR . 4.1 m -66.17 -23.24 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.466 ' N ' HG22 ' A' ' 32' ' ' VAL . 70.7 p -145.47 110.02 5.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -84.65 127.46 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.25 14.0 5.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.482 HG12 ' CG2' ' A' ' 29' ' ' ILE . 1.3 m -83.03 155.38 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 111.104 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.0 tp -113.56 -49.6 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -164.21 155.52 15.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 t -114.21 137.82 46.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 41' ' ' VAL . 4.8 mp -114.53 140.19 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.447 ' N ' HG22 ' A' ' 40' ' ' ILE . 9.3 p -124.3 101.27 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.485 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 3.6 p90 -152.51 163.0 40.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 44' ' ' SER . . . -173.77 -175.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 43' ' ' ALA . 2.1 m -35.75 -44.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.88 168.84 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.123 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.81 164.43 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -78.22 59.5 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -95.26 169.04 10.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.8 ptp -53.56 -16.95 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -104.98 23.23 13.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.44 ' O ' ' CE ' ' A' ' 18' ' ' LYS . 11.8 t-20 -78.46 172.88 13.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.4 154.34 40.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.51 51.96 4.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.647 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -138.45 168.16 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.895 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.647 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -158.4 152.06 23.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.485 ' CE2' ' CE2' ' A' ' 42' ' ' TYR . 10.9 m-85 -100.65 139.61 36.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.463 ' CG2' HG13 ' A' ' 13' ' ' ILE . 2.3 t -125.15 100.86 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -84.05 136.13 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.516 ' CD1' ' HB2' ' A' ' 65' ' ' ALA . 65.7 m-85 -119.94 136.62 54.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -55.31 -46.45 76.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.4 p -106.34 122.03 45.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -46.43 -24.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -75.73 -44.14 43.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.49 -31.02 9.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.516 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . . . -82.68 -42.23 18.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.03 82.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -75.56 -29.06 59.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.34 -53.6 41.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.511 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 6.0 ptm180 -57.37 -39.96 77.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.414 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 7.5 ttm105 -62.29 -8.92 6.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -100.12 -25.17 14.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.462 ' HB2' ' CG1' ' A' ' 86' ' ' VAL . 1.2 mt -112.43 1.69 16.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.623 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -60.15 -51.99 76.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 110.849 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.1 Cg_endo -69.77 -2.25 9.86 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.8 28.77 73.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -68.19 -32.8 73.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 78' ' ' GLN . 5.0 mp -100.13 137.56 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.464 ' N ' HG22 ' A' ' 77' ' ' ILE . 66.9 mt-30 -118.11 140.77 49.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.539 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 71.5 mt -101.11 118.74 37.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.539 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.0 m-90 60.39 35.39 20.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.79 1.99 68.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -108.63 137.79 45.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.742 0.306 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.42 154.24 42.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.46 HG23 ' CG2' ' A' ' 16' ' ' ILE . 2.2 pp -144.28 156.71 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.99 137.73 53.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 13' ' ' ILE . 15.6 m -113.15 119.21 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 88' ' ' TRP . 1.9 t70 -124.86 162.73 23.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.511 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 21.5 m95 -76.48 101.47 5.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.03 -70.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -149.32 139.5 13.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -50.42 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -165.37 106.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.4 ' CG2' ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -104.88 -177.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.4 ' H ' ' CG2' ' A' ' 93' ' ' ILE . 28.8 m-20 -94.03 36.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.2 m -44.5 -25.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -55.35 -47.14 76.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -83.22 -48.34 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -143.61 120.51 11.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.3 p -121.94 -27.54 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 35.9 mtp -95.9 160.4 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.483 ' C ' ' CD ' ' A' ' 101' ' ' GLU . 1.0 OUTLIER -92.28 92.27 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.9 p -116.7 162.46 17.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.168 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.15 127.19 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 79.3 p -169.76 130.44 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 175.98 62.03 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -174.22 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.4 p -83.92 84.45 7.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 m -99.77 98.83 9.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -146.0 158.69 43.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 m -73.63 145.07 45.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.42 -173.13 42.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -58.58 144.51 42.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.93 0.395 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.7 p -117.3 153.62 32.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.2 -62.96 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -45.27 145.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.351 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.8 t -123.2 127.68 48.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -134.1 137.99 44.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.493 HD11 ' CE1' ' A' ' 59' ' ' TYR . 35.6 mt -98.98 139.22 34.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.505 ' CD1' ' CE2' ' A' ' 54' ' ' PHE . 62.7 t80 -85.24 102.13 13.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 21.3 mm -101.06 102.33 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.09 154.23 16.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.22 64.91 1.44 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.445 ' CG2' HG23 ' A' ' 84' ' ' ILE . 19.8 pt -142.47 153.7 62.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.463 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.4 Cg_endo -69.8 142.6 48.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' LYS . 28.9 mttt -76.42 -40.95 49.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.6 ptp -38.62 -26.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' LYS . 32.0 mmtt -76.11 -174.81 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -144.04 158.23 43.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -49.46 -38.2 28.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.4 -40.94 85.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.64 -46.64 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.4 mt -52.08 -48.95 41.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.442 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 4.0 tp -43.41 -59.84 1.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -49.07 -61.79 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.521 ' HG3' ' CE2' ' A' ' 80' ' ' TRP . 16.0 mm-40 -45.81 -26.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 18.5 mm -87.97 -39.75 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.61 -13.05 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -103.77 -49.25 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.402 ' C ' HG22 ' A' ' 33' ' ' THR . 3.9 m -64.8 -31.69 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.402 HG22 ' C ' ' A' ' 32' ' ' VAL . 44.8 p -139.75 115.52 10.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -86.1 126.88 34.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.82 12.73 4.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.432 HG12 ' CE2' ' A' ' 59' ' ' TYR . 2.3 m -83.45 135.6 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tp -92.2 -51.54 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -164.15 160.18 21.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 40' ' ' ILE . 89.6 t -111.37 136.33 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.462 ' N ' HG13 ' A' ' 39' ' ' VAL . 3.9 mp -113.81 148.88 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.521 ' CG1' ' O ' ' A' ' 41' ' ' VAL . 5.4 p -139.16 114.01 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -160.21 127.69 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.467 ' CB ' ' HD2' ' A' ' 52' ' ' ARG . . . -134.93 97.93 3.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.086 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.4 p 51.79 25.58 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -168.44 -176.26 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.08 -71.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -158.92 131.63 6.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -127.72 86.43 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.63 -1.63 26.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -102.44 -25.82 13.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -133.13 65.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 4.1 mmp_? -152.6 152.48 31.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -113.44 27.65 9.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.683 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -159.35 169.14 24.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.901 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.683 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -160.56 155.39 24.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -101.61 135.21 43.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 t -122.47 110.47 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -83.25 143.13 30.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.562 ' CD1' ' HB2' ' A' ' 65' ' ' ALA . 74.9 m-85 -126.01 126.07 43.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -53.78 -48.0 70.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 t -91.69 120.47 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -44.46 -33.48 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 65' ' ' ALA . 21.2 tpp180 -79.77 -43.36 22.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 68' ' ' ALA . . . -40.52 -27.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.562 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . . . -91.59 -43.71 9.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -59.27 -45.82 90.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -79.33 -23.04 43.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 64' ' ' ALA . . . -69.76 -29.99 67.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 73' ' ' MET . 10.4 ptt180 -78.62 -36.03 44.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -62.01 -8.45 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -99.27 -23.65 15.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.6 mt -116.91 1.37 12.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.619 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -60.67 -52.0 75.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.836 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.3 Cg_endo -69.85 -7.01 19.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.62 28.76 62.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -67.04 -36.95 83.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mp -101.49 146.88 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -126.51 153.61 44.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.563 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 80.7 mt -108.48 120.14 41.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.563 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.4 m-90 54.48 35.66 23.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.38 9.35 81.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -110.07 135.61 50.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.9 137.22 58.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.445 HG23 ' CG2' ' A' ' 16' ' ' ILE . 2.7 pp -130.9 154.35 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.66 147.01 50.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.446 HG13 ' CD1' ' A' ' 13' ' ' ILE . 17.4 m -116.79 125.13 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -131.66 166.38 21.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -79.45 112.28 16.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.64 -25.62 27.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -122.64 94.15 47.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -47.75 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -126.48 83.76 2.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.412 ' CD1' ' H ' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -62.95 -176.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.406 ' H ' ' CG2' ' A' ' 93' ' ' ILE . 8.9 m-20 -95.42 36.76 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 96' ' ' ASP . 13.4 m -88.57 -13.45 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 95' ' ' VAL . 5.0 t70 -33.18 -36.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 99' ' ' VAL . 18.4 mm-40 -113.69 -174.29 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 97' ' ' GLU . 2.0 m-20 -32.91 93.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.5 p -61.19 -27.73 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 10.9 mtt -72.03 165.84 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -88.52 86.23 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.5 p -86.08 154.41 21.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.103 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.3 m -58.84 167.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 t -112.1 141.07 46.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.19 69.86 0.42 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 89.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.344 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.6 t -172.36 134.09 0.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -88.31 107.78 18.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -106.95 158.74 16.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.91 0.386 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -117.14 134.8 54.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.61 -72.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -52.93 128.52 27.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.1 p -97.74 158.88 15.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.98 106.25 2.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -112.48 153.26 27.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.359 . . . . 0.0 110.842 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.1 m -136.56 116.94 13.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.458 ' CG ' ' HA ' ' A' ' 58' ' ' GLU . 30.5 mtm180 -142.97 141.63 31.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.6 mt -95.23 142.03 28.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.644 ' CD1' ' CE2' ' A' ' 54' ' ' PHE . 52.9 t80 -85.92 102.13 13.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.602 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 10.9 mm -100.51 105.32 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.83 146.33 18.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.63 46.21 3.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.9 pt -117.59 151.99 49.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.66 0.743 . . . . 0.0 111.082 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.479 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 54.0 Cg_endo -69.7 126.76 13.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -64.82 -39.38 93.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.9 ptp -41.5 -36.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 33.3 mmtt -76.35 173.54 11.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -134.05 165.65 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -47.83 -32.47 6.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.462 ' N ' ' HG2' ' A' ' 22' ' ' ARG . 14.9 pt-20 -68.9 -32.43 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -84.02 -37.03 22.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.5 mt -64.97 -55.25 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.435 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 3.6 tp -41.12 -54.25 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -53.6 -65.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -45.93 -21.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.444 ' CG2' HG11 ' A' ' 57' ' ' VAL . 10.6 mm -90.58 -41.5 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.39 -13.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.81 -50.29 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.467 HG23 ' N ' ' A' ' 33' ' ' THR . 5.8 m -64.03 -30.99 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.467 ' N ' HG23 ' A' ' 32' ' ' VAL . 38.9 p -137.67 117.35 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -89.13 119.28 29.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.82 16.25 1.83 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.477 ' CG1' ' CE2' ' A' ' 59' ' ' TYR . 2.5 m -85.16 157.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.863 0.364 . . . . 0.0 111.133 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tp -115.34 -48.65 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -164.42 161.36 21.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 26' ' ' LEU . 21.7 t -121.33 137.6 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp -120.89 140.17 45.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 42' ' ' TYR . 7.3 p -122.4 151.49 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.461 ' N ' HG23 ' A' ' 41' ' ' VAL . 3.9 m-85 -100.87 155.92 17.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -172.96 147.81 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.0 p -95.19 -42.36 8.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.81 -62.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -160.07 105.65 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -39.63 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 46' ' ' ALA . 57.9 tttt -44.82 -72.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.21 -4.61 22.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -111.44 19.92 17.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.4 ' ND2' HG22 ' A' ' 41' ' ' VAL . 2.8 t-20 -48.24 139.38 8.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -78.17 161.32 27.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.15 32.72 2.74 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.644 ' CE2' ' CD1' ' A' ' 12' ' ' PHE . 6.7 t80 -158.11 165.18 35.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.567 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -145.11 152.18 39.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -111.75 110.17 20.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.444 HG11 ' CG2' ' A' ' 29' ' ' ILE . 5.2 t -97.45 107.55 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.458 ' HA ' ' CG ' ' A' ' 10' ' ' ARG . 2.4 tt0 -86.57 117.93 25.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.477 ' CE2' ' CG1' ' A' ' 36' ' ' VAL . 88.7 m-85 -103.01 131.95 49.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -59.41 -48.45 81.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t -92.66 123.07 35.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -47.96 -30.68 4.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -78.95 -44.68 21.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.11 -27.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.453 ' HB1' ' CD1' ' A' ' 59' ' ' TYR . . . -88.91 -43.55 11.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.02 -48.17 82.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -76.28 -20.7 57.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.25 -46.07 52.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -63.39 -37.06 85.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -62.2 -8.06 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -98.07 -34.93 10.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.2 mt -104.83 4.92 32.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.629 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -61.1 -52.11 74.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.629 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.5 Cg_endo -69.77 -5.56 16.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.45 24.95 76.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -66.44 -31.46 72.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.467 HG21 ' N ' ' A' ' 78' ' ' GLN . 3.9 mp -100.71 139.69 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.467 ' N ' HG21 ' A' ' 77' ' ' ILE . 52.8 mt-30 -123.02 146.02 48.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.526 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 75.9 mt -107.83 118.5 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.526 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.9 m-90 60.37 35.3 20.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.54 1.4 65.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 15.4 m170 -105.34 138.11 42.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -73.77 142.91 46.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.41 HD13 ' C ' ' A' ' 84' ' ' ILE . 2.3 pp -136.02 160.52 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.87 155.29 48.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.476 HG13 ' CD1' ' A' ' 13' ' ' ILE . 14.5 m -123.33 120.95 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -125.71 170.91 11.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -83.63 104.33 13.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.01 -60.41 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.68 136.08 90.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.621 0.724 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -51.38 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.665 2.244 . . . . 0.0 112.37 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -134.99 92.8 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.402 ' CG2' ' H ' ' A' ' 94' ' ' ASP . 0.4 OUTLIER -83.27 -177.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.402 ' H ' ' CG2' ' A' ' 93' ' ' ILE . 3.5 t70 -96.18 33.96 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.469 HG21 ' N ' ' A' ' 96' ' ' ASP . 20.9 m -74.94 -45.19 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.469 ' N ' HG21 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -44.33 -42.99 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -88.16 -53.22 4.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -133.43 109.35 9.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.7 p -123.98 -34.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -104.69 -177.14 3.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -99.06 118.29 35.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 19.1 p -146.38 121.01 9.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.105 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.9 m -60.43 164.19 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 79.3 p -138.35 137.94 37.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -152.05 146.2 14.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -13.2 34.38 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.313 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.8 m -63.29 -59.43 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.4 p -77.01 -45.33 27.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.0 p 42.55 42.1 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 110.793 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 m -118.97 96.21 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.22 49.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -151.72 120.3 6.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.868 0.366 . . . . 0.0 110.829 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -52.01 99.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.04 -168.81 12.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -118.56 111.02 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 m -125.53 118.49 25.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -137.51 140.23 41.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.458 HD12 ' CE1' ' A' ' 59' ' ' TYR . 24.2 mt -98.32 136.82 37.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.465 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 49.6 t80 -85.52 102.3 13.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.6 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 11.2 mm -100.12 115.62 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.1 143.69 16.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.12 45.73 2.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.46 HD12 ' CB ' ' A' ' 55' ' ' ALA . 10.9 pt -121.59 151.02 56.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 0.0 111.089 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.419 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.6 Cg_endo -69.73 130.08 18.75 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.686 2.258 . . . . 0.0 112.336 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -68.3 -44.47 75.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 18' ' ' LYS . 21.0 ptp -34.97 -38.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 43.7 mmtt -64.65 -176.96 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -140.52 159.91 41.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -48.18 -44.49 32.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.18 -35.63 71.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.09 -52.85 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.3 mt -49.09 -48.27 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 tp -51.45 -59.93 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -49.23 -43.36 42.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' HG3' ' CE2' ' A' ' 80' ' ' TRP . 35.5 mm-40 -65.52 -23.85 66.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.434 ' CG2' HG12 ' A' ' 57' ' ' VAL . 15.7 mm -86.21 -40.6 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.26 -13.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt -104.66 -50.09 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 33' ' ' THR . 10.5 m -67.41 -24.85 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.413 ' N ' HG23 ' A' ' 32' ' ' VAL . 58.2 p -145.14 114.73 7.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -86.4 128.48 34.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.14 13.87 5.23 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.419 HG13 ' CG2' ' A' ' 29' ' ' ILE . 1.7 m -85.34 155.86 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 tp -114.92 -49.25 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -160.22 160.6 32.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.4 t -123.24 132.47 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mp -109.39 154.65 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.6 p -126.0 121.67 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -132.56 149.12 52.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' SER . . . -174.37 170.79 3.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' ALA . 15.1 t -37.64 -38.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' ASP . . . -134.18 174.11 10.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.2 83.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' ALA . 0.2 OUTLIER 37.71 44.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -93.12 -179.7 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 71.5 mtp -52.33 -19.72 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -81.87 14.77 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.419 ' O ' ' C ' ' A' ' 52' ' ' ARG . 9.4 t30 -69.4 97.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.45 ' HG2' ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -36.92 -33.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.45 ' N ' ' HG2' ' A' ' 52' ' ' ARG . . . 109.52 71.8 0.7 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.638 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -161.12 168.56 24.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.909 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.638 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -158.39 151.49 22.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -101.11 141.04 34.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.462 ' CG2' HG13 ' A' ' 13' ' ' ILE . 2.7 t -126.42 104.27 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.159 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -83.21 133.97 34.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.458 ' CE1' HD12 ' A' ' 11' ' ' LEU . 89.8 m-85 -117.66 128.0 54.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -58.57 -44.55 89.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.4 t -88.99 123.29 33.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.427 ' O ' ' ND1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -47.87 -32.83 6.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -83.9 -41.45 17.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -37.36 -36.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.4 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . . . -78.77 -45.89 20.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.03 72.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -87.79 -24.05 23.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.67 -30.84 63.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.589 ' CZ ' ' CE ' ' A' ' 73' ' ' MET . 0.1 OUTLIER -81.23 -46.72 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.447 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -52.04 -19.27 1.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -86.42 -45.44 11.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mt -89.33 -3.23 58.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.627 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 3.3 ttt -59.13 -51.84 78.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.601 0.715 . . . . 0.0 110.927 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.76 3.46 2.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.12 26.42 63.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -67.45 -30.41 70.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mp -106.3 147.42 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -129.42 145.96 51.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.565 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 65.9 mt -102.21 116.29 32.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.4 m-90 59.35 36.95 23.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.16 3.99 71.54 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -107.6 134.42 50.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.723 0.297 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -68.05 148.6 50.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 pp -138.47 155.45 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.48 144.1 51.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.466 HG13 ' CD1' ' A' ' 13' ' ' ILE . 28.4 m -112.84 133.06 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -137.04 154.67 50.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -70.1 112.46 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.22 -44.27 5.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.063 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -126.74 140.67 38.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.621 2.214 . . . . 0.0 112.382 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -154.9 114.46 3.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.37 -177.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -91.89 38.28 0.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.45 HG21 ' N ' ' A' ' 96' ' ' ASP . 15.3 m -74.36 -29.18 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.45 ' N ' HG21 ' A' ' 95' ' ' VAL . 9.6 p-10 -66.23 -38.19 87.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -89.55 -66.72 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.78 106.66 10.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 100' ' ' MET . 7.5 p -93.27 -45.66 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.439 ' N ' HG11 ' A' ' 99' ' ' VAL . 15.2 ptp -79.99 164.6 23.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -107.27 39.3 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.0 p -120.99 156.8 31.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.7 p -103.9 134.29 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.9 p -169.38 122.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.49 75.02 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 140.09 41.59 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 57.9 p -153.88 175.86 12.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 m 50.69 44.32 27.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -87.07 150.51 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.362 . . . . 0.0 110.83 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -120.95 -61.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.64 119.53 3.22 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m -113.19 84.45 2.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 m -134.62 133.73 40.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.12 46.46 3.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -100.7 156.44 17.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.357 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 t -124.99 130.12 51.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -144.9 142.73 30.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' A' ' 59' ' ' TYR . 60.9 mt -102.57 141.74 34.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.445 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 37.4 t80 -88.42 102.22 14.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.589 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 19.7 mm -101.91 111.93 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.76 154.11 17.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.92 -9.92 51.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.405 HD12 ' C ' ' A' ' 54' ' ' PHE . 13.6 pt -67.9 151.58 97.08 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 0.0 111.159 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.516 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.7 Cg_endo -69.74 138.57 38.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.294 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' LYS . 13.8 mtmt -65.63 -52.09 54.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 14.0 ptp -38.14 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 18' ' ' LYS . 9.0 mptt -72.64 152.5 41.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -109.39 172.43 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -61.93 -48.29 81.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -48.09 -42.7 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -69.94 -51.83 29.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 30.3 mt -47.02 -56.56 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tp -46.53 -62.25 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -52.09 -57.06 10.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.467 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 10.1 tp10 -53.05 -17.2 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.7 mm -94.76 -38.99 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.48 -12.94 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 1.8 ptpm? -97.39 -54.96 2.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.409 HG12 ' CG2' ' A' ' 77' ' ' ILE . 34.8 m -63.54 -29.97 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 29.8 p -137.84 113.14 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -88.18 123.1 32.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.02 15.1 1.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 m -83.96 154.69 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.373 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tp -112.9 -49.71 2.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -164.02 160.31 21.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.3 t -114.79 137.11 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mp -116.72 140.11 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 41' ' ' VAL . 8.2 p -119.74 108.14 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -104.47 150.0 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 46' ' ' ALA . . . -168.34 109.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 43' ' ' ALA . 7.8 t 33.92 48.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 72.15 43.1 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 43' ' ' ALA . . . -169.3 177.38 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -82.24 -57.45 3.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' HB2' ' CB ' ' A' ' 43' ' ' ALA . 42.7 mttp 38.19 45.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -15.55 13.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -83.91 -23.78 31.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -124.66 60.46 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -150.22 127.42 11.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.84 27.3 20.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.684 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -155.22 169.29 24.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.684 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -159.93 151.65 20.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -103.59 128.11 50.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 t -115.49 108.21 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -82.08 138.0 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CE1' HD12 ' A' ' 11' ' ' LEU . 65.0 m-85 -120.3 129.76 54.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 61' ' ' SER . 12.6 pt-20 -55.39 -47.97 75.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 32.2 t -94.4 127.31 40.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -51.94 -26.71 11.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -83.26 -42.52 17.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.09 -27.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.14 -43.04 11.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.03 -52.12 66.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.8 ptp -71.35 -23.34 61.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.72 -44.16 64.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 73' ' ' MET . 4.4 ptm180 -66.59 -43.82 83.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -54.51 -14.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -89.17 -40.64 12.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.8 mt -100.0 1.22 42.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.619 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -58.28 -52.23 76.07 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.72 0.97 4.85 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.733 2.288 . . . . 0.0 112.316 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.57 33.26 86.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -73.93 -33.5 63.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.453 HG21 ' N ' ' A' ' 78' ' ' GLN . 4.9 mp -103.26 139.06 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.453 ' N ' HG21 ' A' ' 77' ' ' ILE . 72.5 mt-30 -117.34 147.58 42.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.57 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 81.5 mt -102.92 114.53 28.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.57 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 2.7 m-90 58.53 41.7 22.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.9 7.04 58.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.516 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 10.4 m170 -109.15 138.16 45.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -67.17 143.5 56.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.6 pp -137.1 154.58 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -137.5 140.34 41.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.467 HG11 ' CD1' ' A' ' 13' ' ' ILE . 3.8 m -107.65 132.41 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -135.55 157.03 47.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -74.11 111.06 8.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.82 -57.85 5.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.16 126.54 67.23 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.654 0.74 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -133.81 84.11 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.08 174.47 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -86.14 39.17 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.462 ' O ' ' C ' ' A' ' 96' ' ' ASP . 16.7 m -96.13 -15.64 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 95' ' ' VAL . 6.2 t70 -33.12 -38.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 99' ' ' VAL . 26.3 mt-10 -111.22 -174.33 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 97' ' ' GLU . 63.1 m-20 -32.92 93.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.819 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.1 p -59.95 -40.78 83.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 23.2 ptm -106.04 177.01 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -97.38 128.4 44.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.4 p -130.97 159.55 37.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.88 120.27 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.5 t -130.78 160.35 34.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.25 83.39 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 176.82 6.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.733 2.288 . . . . 0.0 112.311 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.7 t -162.96 146.53 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.5 m -136.53 149.86 48.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m 53.73 42.22 31.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p 47.17 41.62 11.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.38 -168.71 12.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -154.2 115.76 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.3 p -95.16 91.23 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.88 143.7 4.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -77.31 131.64 38.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.8 m -84.17 116.7 23.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.443 ' HG2' ' CA ' ' A' ' 58' ' ' GLU . 28.5 mtm105 -139.05 145.48 39.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.564 HD11 ' CE1' ' A' ' 59' ' ' TYR . 48.0 mt -98.61 139.79 33.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -85.21 102.07 13.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.6 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 17.0 mm -102.76 105.49 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.0 147.53 18.92 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.54 54.32 1.35 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' ARG . 20.9 pt -137.29 149.63 66.37 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.631 0.729 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.483 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.7 Cg_endo -69.76 129.52 17.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.339 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' LYS . 39.0 mttt -59.27 -38.82 81.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.7 ptp -38.17 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.483 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 21.8 mmtt -70.97 172.7 8.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 24' ' ' GLU . 25.6 mtmt -138.13 143.32 40.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' LYS . 24.8 ptt180 -37.29 -37.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -65.06 -42.67 93.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 21' ' ' LYS . 3.8 mm-40 -73.85 -58.12 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.6 mt -39.58 -53.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.4 tp -43.26 -60.7 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -46.44 -54.81 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.515 ' HG3' ' CE2' ' A' ' 80' ' ' TRP . 20.6 mm-40 -57.19 -19.25 19.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.8 mm -92.96 -37.76 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.191 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.52 -12.42 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -102.64 -46.47 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.472 HG22 ' N ' ' A' ' 33' ' ' THR . 4.3 m -68.21 -29.32 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.472 ' N ' HG22 ' A' ' 32' ' ' VAL . 43.3 p -140.25 115.32 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -87.61 122.21 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.56 16.74 2.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.417 ' CG1' ' CE2' ' A' ' 59' ' ' TYR . 1.4 m -84.63 156.61 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.9 tp -115.36 -49.78 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -164.32 169.15 17.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 40' ' ' ILE . 9.4 t -122.02 145.67 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.43 ' N ' HG11 ' A' ' 39' ' ' VAL . 16.7 mt -128.29 122.73 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.423 HG23 ' CB ' ' A' ' 47' ' ' ASP . 2.8 p -140.99 160.1 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.48 ' CB ' ' HB3' ' A' ' 46' ' ' ALA . 15.8 m-85 -100.19 115.24 29.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.36 -20.77 58.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -76.01 57.86 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 37.51 36.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.48 ' HB3' ' CB ' ' A' ' 42' ' ' TYR . . . -115.35 -24.68 8.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 46' ' ' ALA . 15.5 p-10 -32.38 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' ALA . 12.5 ptmt -75.81 108.73 8.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.86 -58.93 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 51' ' ' ASN . 28.0 pttt -126.88 -35.97 2.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.481 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 2.0 t-20 -105.57 170.35 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 16' ' ' ILE . 22.8 ptt180 -61.01 90.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.45 125.94 0.18 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -138.52 163.74 31.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.553 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -150.1 155.83 40.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.405 ' CE1' ' HZ ' ' A' ' 54' ' ' PHE . 5.7 m-85 -108.25 133.15 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.4 t -117.41 106.2 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.443 ' CA ' ' HG2' ' A' ' 10' ' ' ARG . 4.9 tt0 -85.4 123.79 31.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.564 ' CE1' HD11 ' A' ' 11' ' ' LEU . 58.4 m-85 -106.27 141.06 38.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 61' ' ' SER . 12.3 pt-20 -66.89 -50.19 63.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 39.3 t -88.67 118.16 28.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -43.84 -34.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -76.89 -44.28 32.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 68' ' ' ALA . . . -43.07 -31.85 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.22 -43.68 13.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -59.66 -48.37 81.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -78.17 -13.26 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 64' ' ' ALA . . . -81.31 -23.86 37.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.536 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 3.6 ptm180 -86.42 -40.53 15.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -60.06 -10.53 4.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -95.7 -34.58 11.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.8 mt -102.17 2.1 36.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.631 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -65.14 -51.51 54.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.864 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.78 3.55 2.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.2 30.03 76.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.497 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -69.25 -36.17 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.451 HG23 ' N ' ' A' ' 78' ' ' GLN . 4.9 mp -103.87 146.55 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.478 ' NE2' ' HA ' ' A' ' 83' ' ' GLN . 24.6 mm-40 -123.35 161.09 25.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.566 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 39.6 mt -117.63 118.51 32.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.0 m-90 52.95 45.85 27.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.14 6.67 27.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -108.76 144.42 36.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.478 ' HA ' ' NE2' ' A' ' 78' ' ' GLN . 33.4 tt0 -69.66 149.55 47.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.5 pp -143.19 152.6 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.37 138.0 44.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.458 HG13 ' CD1' ' A' ' 13' ' ' ILE . 15.8 m -107.33 133.49 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.83 164.18 28.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.536 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 17.3 m95 -79.95 112.25 17.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.15 -54.43 29.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -49.45 140.85 13.11 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.653 0.739 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -48.35 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.377 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -160.62 108.18 1.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.406 ' CG2' ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -99.58 -175.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.406 ' H ' ' CG2' ' A' ' 93' ' ' ILE . 8.3 t70 -93.31 35.87 1.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 96' ' ' ASP . 33.5 m -86.45 -39.79 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.466 ' N ' HG23 ' A' ' 95' ' ' VAL . 4.8 t0 -46.35 -58.02 4.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 11.0 pt-20 -65.29 -41.5 94.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 3.3 m-20 -170.56 126.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.0 p -110.02 -37.92 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 9.4 ptm -98.75 166.88 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -87.43 123.47 32.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 61.9 p -132.29 151.07 52.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.184 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.9 t -149.8 147.82 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.5 p -161.5 161.95 30.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -118.78 134.78 11.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 85.7 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -111.54 150.01 30.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 m -151.3 155.65 39.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -135.36 126.61 28.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -111.03 136.73 49.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.17 -168.02 32.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.6 p -83.69 -46.64 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.368 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -57.91 111.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . -142.96 55.58 0.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.439 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' GLY . 23.0 p-10 -37.46 111.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -133.04 139.33 47.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -137.95 135.01 35.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 33.8 mt -99.14 139.11 35.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -86.16 104.65 15.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.578 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 8.6 mm -104.55 111.98 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.33 145.86 16.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.52 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.47 37.89 4.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.2 pt -111.23 152.57 43.89 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.662 0.744 . . . . 0.0 111.108 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 133.98 26.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' MET . 18.0 mttp -66.02 -50.7 63.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' LYS . 10.5 ptp -37.5 -35.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -62.92 167.72 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -126.44 165.52 18.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 23' ' ' GLU . 34.9 ptt180 -58.89 -47.85 83.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 9.1 pt-20 -53.65 -31.26 46.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -81.12 -45.95 15.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.0 mt -51.41 -54.83 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.151 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.3 tp -46.31 -53.94 9.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.82 -60.36 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' HG3' ' CE2' ' A' ' 80' ' ' TRP . 26.9 mm-40 -50.63 -22.29 1.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.444 HG23 ' CG1' ' A' ' 57' ' ' VAL . 8.5 mm -89.74 -37.86 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.54 -12.65 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.8 -51.19 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.444 HG21 ' N ' ' A' ' 33' ' ' THR . 3.7 m -66.26 -30.53 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.444 ' N ' HG21 ' A' ' 32' ' ' VAL . 50.9 p -134.3 113.22 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -87.85 124.15 33.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.04 10.79 5.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.406 HG11 ' CG2' ' A' ' 29' ' ' ILE . 1.1 m -80.37 151.84 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.143 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tp -109.3 -50.51 2.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -163.3 162.43 25.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.5 t -116.56 137.7 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -112.4 135.4 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.453 ' CG2' ' HE2' ' A' ' 48' ' ' LYS . 14.8 p -114.77 142.69 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -101.53 121.85 42.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -173.2 -178.61 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.1 m -92.89 -48.82 6.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.27 -71.62 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.054 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.76 173.42 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -40.65 -61.76 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' HE2' ' CG2' ' A' ' 41' ' ' VAL . 2.4 ptpt -173.84 106.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -100.12 -57.7 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -114.76 21.2 14.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 52' ' ' ARG . 2.4 t30 -105.08 150.24 25.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.457 ' O ' ' ND2' ' A' ' 51' ' ' ASN . 8.9 ptp180 -46.06 159.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.76 75.28 1.65 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.606 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -141.8 166.41 24.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.606 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -153.07 157.16 40.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -106.57 139.35 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.473 ' CG2' HG13 ' A' ' 13' ' ' ILE . 5.6 t -122.74 109.32 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -86.58 136.54 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.523 ' CD1' ' HB1' ' A' ' 65' ' ' ALA . 78.8 m-85 -122.78 128.63 50.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 61' ' ' SER . 11.7 pt-20 -56.34 -48.97 75.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 4.1 m -88.25 114.86 25.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -42.66 -30.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -82.98 -38.14 23.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.468 ' O ' ' CB ' ' A' ' 68' ' ' ALA . . . -45.64 -27.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.067 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HB1' ' CD1' ' A' ' 59' ' ' TYR . . . -92.48 -37.02 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.6 93.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -89.43 -12.74 39.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 64' ' ' ALA . . . -82.32 -18.42 42.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -82.23 -36.6 27.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -65.65 -8.3 19.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -95.89 -19.32 19.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.463 ' CD1' HG13 ' A' ' 86' ' ' VAL . 1.6 mt -124.06 4.51 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.625 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -65.76 -52.03 45.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.525 0.679 . . . . 0.0 110.883 179.816 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.79 -2.57 10.41 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.35 21.83 78.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -62.43 -34.68 77.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.74 147.85 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -127.99 150.06 50.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.473 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 26.3 mt -103.55 113.01 26.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.473 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.5 m-90 59.46 37.88 22.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.71 3.25 66.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -105.97 133.13 51.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.718 0.294 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -61.48 141.28 57.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.99 154.67 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.85 144.79 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.146 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 72' ' ' LEU . 13.5 m -118.78 125.25 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -139.49 164.83 28.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -68.8 127.06 31.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.85 -54.86 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.26 121.88 1.6 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.656 0.741 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.409 ' HB2' ' CD ' ' A' ' 92' ' ' GLU . 53.9 Cg_endo -69.77 -50.55 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.686 2.258 . . . . 0.0 112.329 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' CD ' ' HB2' ' A' ' 91' ' ' PRO . 1.1 pm0 -151.06 115.67 5.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.98 161.32 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -79.06 43.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.455 HG22 ' N ' ' A' ' 96' ' ' ASP . 16.1 m -58.42 -23.12 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.455 ' N ' HG22 ' A' ' 95' ' ' VAL . 5.0 p-10 -56.39 -53.53 56.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -85.92 -43.85 12.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -146.82 131.17 17.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.5 -37.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.4 mmt -75.81 175.91 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -119.57 84.41 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.2 p -123.19 135.06 54.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.5 p -129.83 -31.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.4 t -113.28 -50.99 2.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 134.11 75.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.443 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 121.09 7.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.393 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 t -61.5 104.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.6 m -57.31 -56.76 17.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -79.36 114.94 18.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 p -164.43 174.77 10.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.87 72.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 t -156.81 124.72 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -146.63 138.63 24.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.38 -107.19 3.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.535 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 51.45 44.62 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t -103.42 116.89 33.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -137.78 144.31 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.2 mt -97.43 138.17 35.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.4 ' CD1' ' HB2' ' A' ' 87' ' ' ASP . 34.3 t80 -84.98 102.15 12.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 24.0 mm -99.64 108.41 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.171 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.94 147.35 18.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.1 60.36 1.26 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.2 pt -136.4 149.87 68.95 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 111.116 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.497 ' HD2' ' CE3' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.73 126.31 13.18 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 19' ' ' MET . 37.7 mttt -61.68 -45.18 95.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.7 ptp -33.5 -40.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 29.8 mmtt -63.97 -174.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.19 158.79 43.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -46.09 -43.99 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -56.99 -36.82 70.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -76.46 -51.55 11.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.9 mt -49.48 -49.49 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.6 tp -49.99 -58.48 5.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -53.93 -54.14 42.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.522 ' HG2' ' CE2' ' A' ' 80' ' ' TRP . 1.1 mp0 -54.0 -19.65 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.0 mm -95.62 -36.98 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.82 -11.93 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.069 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.44 -50.33 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.0 m -67.12 -33.89 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.5 p -135.06 112.82 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -87.07 133.9 33.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.22 2.72 10.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.4 m -69.97 153.64 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.2 tp -112.95 -48.79 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -162.87 160.55 25.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 40' ' ' ILE . 42.7 t -118.84 136.35 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.47 ' N ' HG13 ' A' ' 39' ' ' VAL . 15.6 mt -116.23 142.32 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.9 p -122.91 159.37 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -108.53 112.23 24.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -167.65 128.55 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.5 p -51.77 -60.4 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.21 -53.34 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -123.51 132.38 53.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 24.8 t70 -87.3 47.14 1.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -118.38 -46.86 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.7 mmt -99.93 -41.54 7.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -85.04 22.21 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.41 ' CG ' ' HG2' ' A' ' 18' ' ' LYS . 59.9 t-20 -94.54 118.11 31.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.3 mmm-85 -72.38 -38.95 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.86 51.03 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.619 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -161.7 167.63 24.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.619 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -151.9 160.43 43.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -112.28 141.33 46.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.4 t -127.01 108.26 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -86.36 123.46 31.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.436 ' CD1' ' HB3' ' A' ' 65' ' ' ALA . 80.7 m-85 -105.34 135.15 47.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -56.81 -51.86 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.8 m -94.24 131.96 39.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -56.3 -21.81 26.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -83.59 -43.9 15.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 68' ' ' ALA . . . -46.43 -30.5 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.436 ' HB3' ' CD1' ' A' ' 59' ' ' TYR . . . -84.11 -42.94 15.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.49 -46.06 91.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.408 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 1.6 ptp -80.88 -12.53 59.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 64' ' ' ALA . . . -85.46 -19.07 31.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 73' ' ' MET . 14.9 ptt85 -89.67 -41.13 12.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' ' 67' ' ' MET . 2.6 ptp85 -58.6 -12.14 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -93.16 -31.68 14.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.453 ' HB2' ' CG1' ' A' ' 86' ' ' VAL . 7.6 mt -107.19 2.07 24.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.631 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -63.19 -51.9 65.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.887 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.74 1.26 4.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.71 28.07 72.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -69.35 -37.31 77.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 78' ' ' GLN . 4.4 mp -104.72 136.43 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.47 ' N ' HG22 ' A' ' 77' ' ' ILE . 23.0 mm-40 -116.61 169.33 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.563 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 92.5 mt -121.17 118.12 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.563 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.7 m-90 59.67 31.61 20.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.87 4.93 83.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -104.51 135.75 45.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.751 0.31 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -59.84 139.3 57.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.7 pp -136.35 153.52 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.96 139.94 36.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.466 HG11 ' CD1' ' A' ' 13' ' ' ILE . 19.3 m -103.7 138.45 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.4 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . 11.3 m-20 -139.22 157.58 45.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -73.61 114.17 11.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.97 -59.09 2.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.459 ' CD ' ' O ' ' A' ' 90' ' ' GLU . 2.2 pp20? -82.26 128.73 66.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -51.27 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -160.32 105.35 1.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.443 ' CD1' ' CD ' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -80.83 179.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.47 40.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 96' ' ' ASP . 16.7 m -62.13 -24.03 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.466 ' N ' HG22 ' A' ' 95' ' ' VAL . 0.3 OUTLIER -62.56 -44.64 95.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -87.87 -49.64 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.27 115.5 11.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.6 p -129.8 -30.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.3 ptp -80.06 174.7 11.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -154.29 153.59 31.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 54.8 p -115.01 168.56 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 p -141.44 129.61 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.7 m -175.05 116.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -96.24 135.3 12.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 175.28 8.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.337 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 t -139.06 173.89 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.7 t -130.81 118.07 20.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.513 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -96.24 -48.25 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 t -83.29 109.48 17.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.71 169.09 40.4 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.449 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 t -145.65 166.6 25.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -169.57 129.41 1.01 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.65 -151.71 18.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -89.06 111.44 22.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t -137.65 117.24 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -133.73 146.38 50.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.553 HD13 ' CE1' ' A' ' 59' ' ' TYR . 18.8 mt -105.37 140.14 38.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.437 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 47.0 t80 -88.14 102.02 14.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.553 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 8.6 mm -100.92 111.2 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.32 150.94 17.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.95 28.29 8.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.1 pt -106.41 153.44 40.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.669 0.747 . . . . 0.0 111.115 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 159.67 52.51 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.237 . . . . 0.0 112.331 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 20' ' ' LYS . 2.8 mptt -88.44 -55.63 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.3 ptp -38.13 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' LYS . 7.2 mptt -74.93 154.84 37.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -118.52 167.5 11.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -54.92 -47.04 74.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -47.55 -34.16 7.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -83.53 -43.75 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.7 mt -58.91 -54.59 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.446 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 5.1 tp -44.36 -55.03 5.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -53.43 -64.0 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' HB3' ' CD2' ' A' ' 79' ' ' LEU . 35.5 mm-40 -45.25 -22.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.479 ' HA ' ' CG2' ' A' ' 32' ' ' VAL . 13.4 mm -90.23 -39.01 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.31 -14.22 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -104.32 -51.08 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' ' 29' ' ' ILE . 18.7 m -65.76 -26.68 39.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 71.9 p -143.64 108.47 4.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -82.61 134.39 35.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.17 15.03 7.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.469 HG13 ' CG2' ' A' ' 29' ' ' ILE . 1.1 m -83.75 157.92 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.148 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tp -117.66 -48.3 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -164.16 158.53 19.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.466 HG11 ' N ' ' A' ' 40' ' ' ILE . 75.9 t -116.98 135.78 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.466 ' N ' HG11 ' A' ' 39' ' ' VAL . 11.1 mt -118.85 109.61 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.433 ' CG1' ' O ' ' A' ' 41' ' ' VAL . 14.3 p -104.31 103.32 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -159.64 167.54 28.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -133.07 -51.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -118.96 -56.23 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.56 -60.31 1.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.066 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.88 -179.03 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -39.21 111.06 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.96 143.45 42.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 15.0 ptm -56.29 -13.38 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -102.09 22.29 13.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 52' ' ' ARG . 25.0 p-10 -80.33 43.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 51' ' ' ASN . 44.7 mtp180 34.39 36.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' ASN . . . 41.71 49.1 5.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.638 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 1.3 t80 -127.29 168.74 14.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.365 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.638 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -157.53 152.7 25.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -105.13 147.83 27.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.1 t -130.51 104.6 10.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -86.56 120.15 27.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.553 ' CE1' HD13 ' A' ' 11' ' ' LEU . 66.2 m-85 -104.2 135.04 46.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -60.81 -42.48 97.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 m -91.91 124.05 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -46.55 -33.66 4.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' ALA . 3.1 tpt180 -84.21 -40.77 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.466 ' O ' ' CB ' ' A' ' 68' ' ' ALA . . . -38.16 -26.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.507 ' HB1' ' CD1' ' A' ' 59' ' ' TYR . . . -91.87 -41.19 10.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -65.91 -42.85 89.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -82.27 -11.76 58.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 64' ' ' ALA . . . -87.72 -27.31 22.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.427 ' CA ' HG22 ' A' ' 86' ' ' VAL . 12.0 ptt85 -78.13 -39.93 39.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -54.49 -14.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -91.6 -41.23 10.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.421 ' HB2' ' CG1' ' A' ' 86' ' ' VAL . 4.0 mt -98.15 5.65 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.624 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -64.68 -52.0 54.53 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.557 0.694 . . . . 0.0 110.875 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.9 Cg_endo -69.74 -9.6 26.5 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.04 31.55 61.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -73.41 -35.84 65.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.439 HG23 ' N ' ' A' ' 78' ' ' GLN . 5.2 mp -96.52 138.54 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.439 ' N ' HG23 ' A' ' 77' ' ' ILE . 39.7 mt-30 -120.8 146.65 46.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.424 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 31.8 mt -107.8 119.2 38.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.424 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.3 m-90 60.94 32.77 19.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.4 -1.28 71.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -103.58 136.43 43.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.718 0.294 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -70.15 146.68 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.2 pp -135.97 155.45 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.1 136.32 43.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.468 HG12 ' CD1' ' A' ' 13' ' ' ILE . 15.5 m -101.38 132.27 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.41 149.03 49.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 89' ' ' ALA . 6.1 m95 -63.68 104.77 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . -35.15 -49.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.417 ' OE1' ' CB ' ' A' ' 89' ' ' ALA . 10.2 mp0 -124.9 142.99 42.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.664 0.745 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -50.61 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.24 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -162.98 117.43 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.402 ' CG2' ' H ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -110.77 -176.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.402 ' H ' ' CG2' ' A' ' 93' ' ' ILE . 2.3 m-20 -91.78 38.91 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 96' ' ' ASP . 26.5 m -64.96 -36.02 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.457 ' N ' HG23 ' A' ' 95' ' ' VAL . 10.2 m-20 -49.28 -39.03 29.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -74.55 -56.54 4.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -152.01 111.81 4.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.4 p -105.59 -34.45 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -72.54 172.97 9.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -147.81 121.92 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.8 p -107.71 146.68 31.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.3 p -117.22 -19.58 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.3 m -153.61 131.49 11.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -178.84 129.29 1.36 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 109.09 2.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.685 2.257 . . . . 0.0 112.393 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 88.1 p -44.55 132.91 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.8 t -158.97 112.88 2.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 m -39.39 125.86 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.8 p -92.62 161.58 14.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.37 -136.17 13.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -78.95 110.44 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -113.91 125.2 53.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.63 -131.3 2.23 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -72.94 146.43 46.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.348 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.8 t -118.74 118.24 31.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -133.04 135.21 45.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.56 HD12 ' CE1' ' A' ' 59' ' ' TYR . 26.3 mt -96.43 140.86 30.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.482 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 47.8 t80 -87.59 101.94 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 15.6 mm -99.31 104.88 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.71 157.97 14.59 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.27 45.33 5.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -121.74 151.59 57.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 111.085 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 128.57 16.19 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.653 2.235 . . . . 0.0 112.334 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 19' ' ' MET . 36.5 mttt -55.75 -54.39 45.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 18' ' ' LYS . 8.4 ptp -34.14 -42.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HE3' ' CD1' ' A' ' 80' ' ' TRP . 6.6 mptt -62.72 147.14 50.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -118.48 168.37 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -49.88 -40.05 41.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -53.42 -49.07 68.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -73.3 -49.37 27.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.5 mt -51.08 -57.11 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 tp -45.21 -58.85 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.02 -39.77 82.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.549 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -67.46 -20.0 65.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.2 mm -95.67 -35.75 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.38 -7.28 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -100.97 -48.32 4.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.467 ' CG1' HG22 ' A' ' 77' ' ' ILE . 25.4 m -72.27 -28.86 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.414 ' N ' HG23 ' A' ' 32' ' ' VAL . 40.3 p -137.97 111.34 8.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -85.8 125.99 33.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.1 9.36 3.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.514 ' CG1' ' CE2' ' A' ' 59' ' ' TYR . 2.6 m -80.47 158.59 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 111.121 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tp -118.03 -47.97 2.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -163.88 160.5 22.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 40' ' ' ILE . 90.0 t -118.13 137.32 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.402 ' N ' HG12 ' A' ' 39' ' ' VAL . 4.7 mp -108.34 140.39 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.425 ' CG1' ' O ' ' A' ' 41' ' ' VAL . 11.5 p -141.65 113.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -100.39 128.54 46.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.416 ' CB ' ' HA ' ' A' ' 47' ' ' ASP . . . -154.53 -177.6 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.066 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 t -109.11 -30.7 7.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.63 42.62 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.054 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.76 37.68 9.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.419 ' CG ' HG11 ' A' ' 41' ' ' VAL . 0.2 OUTLIER 70.49 45.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -87.28 -179.89 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.1 ttm -60.11 -14.16 15.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -91.43 21.85 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.545 ' CG ' ' N ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -124.25 170.04 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.545 ' N ' ' CG ' ' A' ' 51' ' ' ASN . 8.6 mmm180 -60.23 172.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -116.2 65.63 0.32 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.6 OUTLIER -155.77 167.02 31.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.916 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.605 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -153.85 155.92 36.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.407 ' CD2' ' HE1' ' A' ' 54' ' ' PHE . 5.9 m-85 -109.83 146.12 35.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.2 t -129.01 112.05 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -87.87 115.04 25.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.56 ' CE1' HD12 ' A' ' 11' ' ' LEU . 71.6 m-85 -97.06 134.36 40.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.98 -49.42 77.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -91.49 121.18 32.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -46.1 -35.01 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -76.69 -42.75 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.491 ' O ' ' CB ' ' A' ' 68' ' ' ALA . . . -42.64 -33.57 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.488 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . . . -84.66 -42.16 15.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.13 91.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -82.05 -29.29 31.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 64' ' ' ALA . . . -64.0 -33.83 76.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.465 ' CA ' HG21 ' A' ' 86' ' ' VAL . 20.4 ptt85 -73.88 -40.26 63.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 44.8 ttt-85 -56.65 -14.04 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -92.19 -30.53 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.41 ' HB2' ' CG1' ' A' ' 86' ' ' VAL . 15.2 mt -107.6 -0.27 22.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.634 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -61.08 -51.85 76.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.565 0.698 . . . . 0.0 110.925 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.9 Cg_endo -69.77 2.04 3.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.66 25.7 65.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.8 mtm105 -67.36 -33.03 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.467 HG22 ' CG1' ' A' ' 32' ' ' VAL . 4.0 mp -101.35 148.33 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.404 ' N ' HG23 ' A' ' 77' ' ' ILE . 45.2 mt-30 -130.97 155.2 47.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.563 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 75.1 mt -112.92 122.87 48.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.563 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.1 m-90 53.71 40.05 30.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.97 6.43 56.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -105.32 136.64 44.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.723 0.297 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.28 133.32 49.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.456 HG22 ' CD1' ' A' ' 79' ' ' LEU . 2.8 pp -127.51 154.96 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.15 142.32 35.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 13' ' ' ILE . 15.9 m -106.01 133.52 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.414 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . 8.5 m-20 -133.69 156.74 47.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -75.44 110.55 9.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.66 155.13 26.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -131.76 113.06 15.09 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.657 0.741 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -50.22 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -150.43 114.46 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -89.48 -177.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -92.87 33.97 1.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 28.8 m -84.61 -41.41 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -56.9 -43.2 81.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -77.05 -57.91 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -134.95 105.69 6.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 100' ' ' MET . 9.9 p -103.38 -26.52 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.408 ' N ' HG13 ' A' ' 99' ' ' VAL . 3.6 ptt? -130.41 179.44 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -91.47 90.23 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 104' ' ' SER . 5.4 t -122.42 -179.79 4.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.404 ' N ' ' OG1' ' A' ' 102' ' ' THR . 9.0 p 40.0 26.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' THR . 69.1 p -52.31 157.0 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -70.41 -143.0 0.21 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 157.87 58.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.73 2.287 . . . . 0.0 112.365 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.5 t -167.83 118.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.3 t -63.15 -56.27 18.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 m -107.14 -59.28 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -51.3 -50.18 59.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.822 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.1 -117.95 1.17 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.447 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -40.37 -44.78 2.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 t -84.55 81.23 8.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.94 145.07 23.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -53.65 102.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.0 m -135.61 117.36 15.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -141.39 142.57 33.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.571 HD12 ' CE1' ' A' ' 59' ' ' TYR . 41.2 mt -99.84 137.6 38.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -84.87 101.56 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 21.9 mm -100.87 108.32 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.81 150.53 18.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.22 52.06 2.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.437 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.5 pt -127.28 151.56 74.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 111.115 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 129.45 17.67 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -57.79 -45.61 85.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.418 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 9.9 ptp -46.67 -25.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.522 ' HG2' ' CD2' ' A' ' 80' ' ' TRP . 5.8 mptt -84.39 116.93 23.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.476 ' HE3' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -83.12 173.64 11.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 12.2 ptt85 -57.62 -39.59 77.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.49 -40.3 65.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.24 -46.84 21.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.1 mt -54.11 -56.91 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tp -44.22 -65.93 0.45 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -50.52 -46.69 57.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.551 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -61.8 -18.25 59.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 29' ' ' ILE . 9.3 mm -96.31 -36.9 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.42 -7.77 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -101.49 -48.78 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.456 HG22 ' N ' ' A' ' 33' ' ' THR . 27.3 m -71.28 -30.62 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.456 ' N ' HG22 ' A' ' 32' ' ' VAL . 42.2 p -137.55 109.69 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.6 134.84 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.65 10.17 7.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.6 m -78.4 161.53 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 111.147 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tp -121.95 -48.38 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -164.32 146.75 8.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.0 t -110.16 131.27 61.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -106.4 155.9 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 p -137.96 107.23 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.436 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 4.8 p90 -160.32 124.87 3.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.46 74.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.6 m 45.35 38.46 3.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.17 179.99 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -74.12 109.69 7.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 5.0 p-10 -39.1 96.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' ALA . 24.6 mmmt -142.72 177.68 8.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -12.35 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.35 19.6 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -68.16 148.03 51.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -50.21 -59.65 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.41 50.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.615 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -153.4 167.44 29.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.94 0.4 . . . . 0.0 110.842 -179.832 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.615 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -151.61 157.71 42.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.404 ' CD1' ' HZ ' ' A' ' 54' ' ' PHE . 5.0 m-85 -111.58 135.8 51.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.1 t -120.87 108.93 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -85.22 125.75 33.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.571 ' CE1' HD12 ' A' ' 11' ' ' LEU . 69.8 m-85 -108.6 133.52 52.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -61.67 -44.68 96.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 m -93.32 124.68 37.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.542 ' CD2' HG22 ' A' ' 99' ' ' VAL . 23.2 t60 -49.84 -32.52 14.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -80.37 -41.78 24.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 68' ' ' ALA . . . -42.32 -30.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.6 -45.26 11.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.82 88.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -82.29 -10.89 58.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 64' ' ' ALA . . . -86.26 -19.41 29.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 73' ' ' MET . 3.5 ptm180 -88.38 -44.18 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -53.87 -15.54 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -87.44 -38.7 15.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.6 mt -103.78 1.83 32.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.623 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -61.1 -52.12 73.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.822 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.8 Cg_endo -69.76 3.0 3.02 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.371 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.69 33.44 85.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.5 mtt-85 -72.7 -48.46 38.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.477 HG21 ' N ' ' A' ' 78' ' ' GLN . 4.7 mp -92.29 142.35 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.477 ' N ' HG21 ' A' ' 77' ' ' ILE . 90.2 mt-30 -122.06 157.07 32.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.571 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 97.6 mt -109.07 116.99 33.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.571 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.5 m-90 58.16 41.06 24.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.71 8.71 60.92 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -108.58 137.13 47.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.68 139.46 57.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.6 pp -134.42 153.39 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.53 146.52 42.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.41 HG12 ' CD1' ' A' ' 13' ' ' ILE . 3.5 m -110.49 138.24 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -137.39 151.5 48.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.413 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 17.8 m95 -70.58 115.65 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.08 -62.41 1.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -82.23 137.29 45.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.664 0.745 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -50.1 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.395 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -157.96 115.04 2.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.412 ' CG2' ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -103.03 -175.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.412 ' H ' ' CG2' ' A' ' 93' ' ' ILE . 0.7 OUTLIER -94.27 38.17 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.833 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.473 HG21 ' N ' ' A' ' 96' ' ' ASP . 28.3 m -87.63 -37.74 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.473 ' N ' HG21 ' A' ' 95' ' ' VAL . 13.2 t70 -39.01 -60.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.401 ' HG3' ' CG ' ' A' ' 98' ' ' ASP . 13.3 pt-20 -66.89 -48.52 68.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.401 ' CG ' ' HG3' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -157.63 139.02 13.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.542 HG22 ' CD2' ' A' ' 62' ' ' HIS . 14.5 p -124.79 -41.66 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 13.7 ptp -95.05 176.56 6.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -116.73 126.14 52.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 58.3 p -62.82 172.87 1.51 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.3 t -138.98 121.2 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.7 p -166.76 158.61 13.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.54 77.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.95 61.53 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.677 2.251 . . . . 0.0 112.321 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.1 p -129.41 96.89 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.5 t -167.64 150.56 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -139.41 136.84 35.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -95.43 106.93 19.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.59 149.85 14.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -152.55 169.13 23.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t -71.51 135.54 47.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.15 -84.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -118.95 148.19 43.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.802 0.334 . . . . 0.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.06 121.03 39.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -140.77 133.26 28.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.463 HD12 ' CE1' ' A' ' 59' ' ' TYR . 32.5 mt -94.64 133.99 37.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.582 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 48.1 t80 -84.97 102.37 13.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.561 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 6.3 mm -102.16 115.67 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.8 143.38 14.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.462 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.93 36.94 2.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.526 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.7 pt -113.8 153.75 45.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.736 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 144.39 53.87 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 19' ' ' MET . 33.6 mttt -71.79 -54.01 11.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 18' ' ' LYS . 14.8 ptp -34.94 -37.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -62.48 176.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -142.89 167.68 21.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -56.68 -46.15 81.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -50.81 -39.98 54.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.88 -51.34 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 16.9 mt -48.12 -56.31 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 tp -42.39 -63.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -47.21 -55.23 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -54.03 -22.08 9.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.464 ' CG2' HG11 ' A' ' 57' ' ' VAL . 21.9 mm -90.13 -40.64 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.81 -13.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -104.48 -49.55 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.424 ' C ' HG21 ' A' ' 33' ' ' THR . 6.0 m -65.35 -30.02 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.424 HG21 ' C ' ' A' ' 32' ' ' VAL . 62.8 p -141.24 112.23 7.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -84.15 127.54 33.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.42 8.21 6.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.1 m -78.31 155.19 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 111.137 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.3 tp -113.46 -49.45 2.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -163.22 161.19 24.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.442 HG12 ' N ' ' A' ' 40' ' ' ILE . 18.0 t -120.75 142.81 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.442 ' N ' HG12 ' A' ' 39' ' ' VAL . 4.5 mp -121.3 146.14 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.3 p -121.23 139.4 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -110.3 141.09 43.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -173.48 144.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -51.84 -26.54 10.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' ASP . . . -127.06 176.82 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.099 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.74 81.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 45' ' ' ALA . 1.5 p-10 37.82 41.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -48.74 178.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -65.54 -14.44 61.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -92.95 19.88 7.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -39.09 120.53 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -38.97 157.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.0 42.6 3.09 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.647 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.6 OUTLIER -154.04 169.2 24.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 110.818 -179.826 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.647 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -155.96 158.53 38.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.065 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.26 129.98 55.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.464 HG11 ' CG2' ' A' ' 29' ' ' ILE . 2.2 t -117.01 104.78 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -83.02 139.79 33.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CD1' ' HB3' ' A' ' 65' ' ' ALA . 84.1 m-85 -124.99 128.99 49.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -56.57 -48.38 77.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 44.8 t -90.15 115.27 27.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -42.9 -28.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -84.42 -41.69 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.06 -33.42 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.469 ' HB3' ' CD1' ' A' ' 59' ' ' TYR . . . -82.6 -44.61 15.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.66 -36.12 71.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -87.64 -26.08 23.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.66 -35.62 70.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.461 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -74.93 -37.39 62.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.461 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 59.1 ttt180 -60.2 -10.41 4.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -98.57 -33.07 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.434 ' HB2' ' CG1' ' A' ' 86' ' ' VAL . 19.0 mt -98.04 -4.87 35.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.64 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -59.01 -51.47 81.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.526 0.679 . . . . 0.0 110.9 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.4 Cg_endo -69.82 4.07 2.43 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.245 . . . . 0.0 112.348 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.97 22.48 48.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.454 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -64.51 -23.44 67.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 78' ' ' GLN . 4.6 mp -109.9 137.67 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.437 ' N ' HG22 ' A' ' 77' ' ' ILE . 47.8 mt-30 -120.18 136.97 54.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.523 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 85.5 mt -96.35 117.13 30.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.523 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.3 m-90 59.67 37.83 22.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.78 2.58 65.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -108.47 137.34 46.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.683 0.278 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -73.56 150.62 41.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.0 pp -139.31 163.11 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -133.18 148.32 52.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.085 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.434 ' CG1' ' HB2' ' A' ' 72' ' ' LEU . 31.2 m -114.22 133.14 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.083 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -135.31 156.7 48.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -79.76 95.06 5.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.81 -57.33 6.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -51.62 123.27 23.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.737 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.232 . . . . 0.0 112.35 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -155.27 111.63 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.89 -178.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -94.82 32.74 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 96' ' ' ASP . 17.0 m -56.35 -25.3 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.465 ' N ' HG22 ' A' ' 95' ' ' VAL . 8.0 t0 -62.69 -48.39 79.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -90.72 -55.76 3.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -130.11 104.71 7.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 13.4 p -100.42 -43.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -96.94 172.34 7.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -129.24 154.71 46.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.1 t -141.12 -176.76 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.8 p -79.62 139.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.1 m -128.52 123.48 33.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.86 117.72 1.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 116.58 4.62 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.388 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.2 m -79.85 100.44 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 t 43.33 48.13 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -117.63 106.72 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.3 m -87.08 -51.22 6.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.7 -75.0 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -144.05 144.14 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.82 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -110.75 110.74 21.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.88 -138.04 7.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -116.62 135.49 53.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -106.88 121.18 43.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.462 ' NE ' HD11 ' A' ' 40' ' ' ILE . 67.9 mtt180 -128.13 130.04 47.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.511 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 56.9 mt -93.64 136.11 34.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -84.9 101.8 12.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 18.1 mm -100.67 102.46 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.61 147.99 17.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.491 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.13 47.95 2.52 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.4 pt -126.44 152.81 74.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.593 0.711 . . . . 0.0 111.148 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.484 ' HD2' ' CZ3' ' A' ' 80' ' ' TRP . 53.6 Cg_endo -69.79 130.38 19.2 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 19' ' ' MET . 56.2 mttt -69.19 -44.39 72.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 18' ' ' LYS . 8.3 ptp -36.25 -38.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 45.8 mmtt -63.31 175.91 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.57 155.53 43.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -47.33 -37.44 11.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.95 -38.73 92.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -72.74 -43.57 62.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 24.4 mt -55.82 -58.61 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 4.2 tp -40.79 -54.14 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.06 -61.25 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.512 ' HG3' ' CE2' ' A' ' 80' ' ' TRP . 29.2 mm-40 -47.84 -20.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.1 mm -93.61 -39.23 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.62 -12.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -100.37 -52.11 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.457 HG21 ' N ' ' A' ' 33' ' ' THR . 5.0 m -65.03 -23.81 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.457 ' N ' HG21 ' A' ' 32' ' ' VAL . 52.1 p -145.74 120.47 9.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -93.18 129.15 39.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.11 15.69 4.17 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.458 HG13 ' CE2' ' A' ' 59' ' ' TYR . 1.5 m -83.34 155.91 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.1 tp -114.21 -49.42 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -162.6 163.98 26.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 26' ' ' LEU . 13.6 t -120.96 138.16 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.462 HD11 ' NE ' ' A' ' 10' ' ' ARG . 4.9 mp -111.69 146.68 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.7 p -126.11 126.98 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -102.31 166.45 10.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -167.08 170.55 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 t -57.78 -54.02 51.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.85 -62.13 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -156.92 162.51 39.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 5.9 p-10 -48.79 107.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -145.36 179.87 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.9 ttm -64.85 -14.97 61.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -96.24 20.97 9.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -50.2 -178.54 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -92.51 164.07 13.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.69 52.27 2.76 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.635 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.8 OUTLIER -165.76 169.47 15.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 -179.852 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.635 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -156.44 160.96 40.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.403 ' CE1' ' HZ ' ' A' ' 54' ' ' PHE . 5.8 m-85 -115.59 140.83 48.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 t -124.39 110.45 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -88.8 114.83 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CE1' ' CD1' ' A' ' 11' ' ' LEU . 57.1 m-85 -95.09 142.99 26.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 61' ' ' SER . 15.1 pt-20 -60.46 -50.19 74.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 31.0 t -100.67 126.81 47.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -48.48 -28.51 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 64' ' ' ALA . 2.7 tmm_? -74.31 -52.08 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.49 ' N ' ' HD2' ' A' ' 63' ' ' ARG . . . -44.14 -22.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.56 -42.83 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -60.89 -42.31 97.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -81.19 -25.73 36.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.82 69.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 73' ' ' MET . 1.8 ptp180 -77.7 -43.69 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -55.77 -13.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -91.67 -32.02 15.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.16 4.64 21.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.621 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 4.8 ttm -65.9 -52.15 43.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.574 0.702 . . . . 0.0 110.839 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.5 Cg_endo -69.71 2.09 3.81 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.466 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . 64.51 34.42 89.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -74.82 -34.16 62.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.32 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.1 mp -111.17 144.33 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 75' ' ' GLY . 29.0 mm-40 -122.38 171.49 9.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.559 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 90.6 mt -121.23 113.9 20.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.8 m-90 61.27 31.83 19.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.48 0.21 83.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -100.09 133.3 44.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -60.66 136.31 58.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.6 pp -131.31 153.43 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.16 147.5 47.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.445 HG11 ' CD1' ' A' ' 13' ' ' ILE . 19.7 m -113.09 127.68 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.47 158.48 39.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.458 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 19.6 m95 -78.35 100.06 6.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -44.75 -71.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -90.27 113.49 57.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.16 109.36 3.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.4 ' CG2' ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -86.8 -177.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.4 ' H ' ' CG2' ' A' ' 93' ' ' ILE . 5.4 m-20 -94.42 37.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' ' 96' ' ' ASP . 29.6 m -74.82 -44.13 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.441 ' N ' HG23 ' A' ' 95' ' ' VAL . 19.7 t70 -43.1 -42.82 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -83.95 -59.98 2.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.53 107.05 9.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.4 p -127.4 -37.68 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.03 170.93 3.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -143.3 112.68 6.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.2 p -104.8 152.61 22.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.1 t -132.24 129.08 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.6 t -145.76 148.46 32.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 147.02 73.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 147.94 63.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.65 2.233 . . . . 0.0 112.322 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 43.4 t -120.94 81.72 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 m -70.49 130.57 42.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -86.78 94.53 9.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.0 p -56.88 162.7 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.69 149.34 17.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.547 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 m -54.81 159.87 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 p -91.36 130.3 37.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.99 -127.32 0.95 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.538 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -74.5 128.89 36.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 m -132.38 123.14 26.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -134.66 146.95 50.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.41 ' CD1' ' CE1' ' A' ' 59' ' ' TYR . 91.0 mt -104.27 141.28 36.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.57 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 59.7 t80 -84.95 102.15 12.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.59 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 15.6 mm -100.02 110.2 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.4 154.7 16.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.96 26.07 13.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.514 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.3 pt -98.71 152.79 38.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 111.113 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.463 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.4 Cg_endo -69.79 148.66 65.39 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' MET . 63.0 mttt -71.46 -57.17 4.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.8 ptp -37.72 -33.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -70.52 153.05 43.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -125.11 158.49 33.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.412 ' HA ' ' CD1' ' A' ' 25' ' ' ILE . 16.6 ptt85 -43.82 -46.96 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -45.84 -52.74 10.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.67 -44.66 77.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 22' ' ' ARG . 43.9 mt -49.03 -53.02 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 tp -48.01 -63.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -48.62 -43.82 36.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.506 ' HG3' ' CE2' ' A' ' 80' ' ' TRP . 30.6 mm-40 -66.99 -20.66 65.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.463 ' CG2' HG11 ' A' ' 57' ' ' VAL . 8.2 mm -89.36 -41.8 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.57 -11.08 1.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -103.72 -48.8 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 33' ' ' THR . 10.2 m -70.95 -23.8 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.449 ' N ' HG23 ' A' ' 32' ' ' VAL . 44.4 p -145.75 109.5 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -83.36 129.53 35.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.12 4.87 8.29 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.512 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.0 m -74.09 154.73 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 tp -114.51 -49.75 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -163.63 157.57 19.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 55.6 t -113.79 138.11 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.39 139.13 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.2 p -116.37 135.02 57.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -102.62 117.25 34.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -174.62 166.81 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.089 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.2 t -77.87 88.51 4.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 38.41 36.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -170.21 121.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -111.75 38.42 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.22 -42.28 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 11.0 tpt -104.65 -53.32 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -67.74 -35.44 78.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -44.99 123.96 4.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.9 mtt-85 -73.09 -39.34 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.53 30.78 0.33 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -136.36 169.14 18.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.842 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.664 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -152.1 163.92 38.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -116.71 131.94 56.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.831 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.471 ' CG2' HG13 ' A' ' 13' ' ' ILE . 3.1 t -117.21 109.55 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -87.42 131.12 34.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.499 ' CD1' ' HB3' ' A' ' 65' ' ' ALA . 58.7 m-85 -114.17 133.02 55.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.7 -48.19 81.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.3 t -88.37 117.35 27.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -38.43 -37.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' ALA . 3.5 tpt180 -78.34 -44.51 24.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 63' ' ' ARG . . . -36.6 -32.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.499 ' HB3' ' CD1' ' A' ' 59' ' ' TYR . . . -83.94 -41.85 16.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -66.25 -51.11 60.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.1 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.6 ptp -70.59 -12.43 61.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.37 -36.56 19.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.561 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 0.9 OUTLIER -73.77 -37.38 65.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 13.9 ttm180 -61.24 -8.98 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -96.2 -31.63 12.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 mt -107.56 -3.58 19.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.621 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -53.77 -52.17 69.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.86 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.8 Cg_endo -69.73 -6.26 18.16 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.365 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.81 29.07 67.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -70.45 -27.75 64.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.308 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 78' ' ' GLN . 5.0 mp -110.21 139.8 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.455 ' N ' HG22 ' A' ' 77' ' ' ILE . 77.6 mt-30 -120.82 156.79 31.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.519 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 95.5 mt -110.84 117.37 33.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.519 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.6 m-90 57.99 35.08 24.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.25 3.74 77.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 11.8 m170 -103.44 134.44 46.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.711 0.291 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -65.29 134.16 53.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 pp -129.6 154.39 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.62 148.97 49.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.457 HG12 ' CD1' ' A' ' 13' ' ' ILE . 14.7 m -117.06 126.19 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -127.0 153.99 45.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.561 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 10.7 m95 -70.04 102.49 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.412 ' HB1' ' CD ' ' A' ' 90' ' ' GLU . . . -57.78 -53.15 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.048 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.421 ' N ' ' OE2' ' A' ' 90' ' ' GLU . 0.3 OUTLIER -154.18 125.77 3.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 110.905 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -50.63 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.733 2.288 . . . . 0.0 112.391 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -160.73 109.43 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -92.44 -177.02 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -94.55 37.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 96' ' ' ASP . 26.2 m -65.52 -35.41 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.449 ' N ' HG23 ' A' ' 95' ' ' VAL . 5.6 t0 -50.16 -52.5 34.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.47 -50.97 16.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.28 124.97 11.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.5 p -120.41 -39.78 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 33.8 mtp -96.55 167.29 11.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.64 80.21 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 61.9 p -79.26 126.75 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.5 p -108.8 -27.94 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.168 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 81.0 p -172.3 167.99 5.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -151.05 66.85 0.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 167.38 24.53 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.245 . . . . 0.0 112.347 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.4 t -136.7 144.03 43.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.4 p -68.34 -18.27 64.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -92.72 132.03 37.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.809 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -46.49 160.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.85 160.41 11.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 m -119.31 101.6 8.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 p -155.44 115.08 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.12 -61.62 2.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.45 ' ND2' HG11 ' A' ' 95' ' ' VAL . 2.7 t30 -48.95 108.75 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.836 0.351 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 9' ' ' CYS . 1.8 p -138.02 126.15 22.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -129.76 150.27 51.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.8 mt -105.0 137.45 42.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.517 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 60.3 t80 -84.75 102.2 12.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 8.6 mm -103.06 114.48 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.4 145.04 15.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.1 17.27 16.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.0 pt -93.18 151.12 40.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 111.154 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.9 Cg_endo -69.73 133.08 24.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -62.27 -50.51 71.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.462 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 19.8 ptp -37.98 -37.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' CD ' ' HG3' ' A' ' 19' ' ' MET . 6.4 mptt -65.75 155.88 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -118.78 164.36 15.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -53.16 -43.76 67.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.852 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.1 -37.79 62.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.67 -50.63 12.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.8 mt -47.24 -55.19 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -44.37 -56.27 4.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -58.65 -50.98 71.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.455 ' CD ' ' NE1' ' A' ' 80' ' ' TRP . 4.7 tp10 -56.61 -21.28 25.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.479 ' CG2' HG11 ' A' ' 57' ' ' VAL . 10.3 mm -92.5 -40.86 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.37 -11.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -103.37 -48.28 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.429 HG11 ' CG2' ' A' ' 77' ' ' ILE . 27.0 m -68.86 -29.42 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.43 ' CG2' HD13 ' A' ' 72' ' ' LEU . 69.2 p -140.22 112.75 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -85.22 130.65 34.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.62 18.05 4.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 1.5 m -87.48 158.38 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.7 tp -115.64 -48.25 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -163.56 170.32 17.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.76 139.78 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.5 mt -121.77 132.04 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.7 p -119.94 120.48 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -105.99 138.37 42.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 44' ' ' SER . . . -138.83 134.45 33.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 43' ' ' ALA . 77.4 p -35.62 -49.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.5 -50.93 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 47' ' ' ASP . . . -169.63 132.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -38.14 115.14 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -169.88 165.83 9.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.8 mtp -58.24 -21.43 48.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -87.98 20.63 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -124.02 179.93 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -62.85 169.25 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.66 78.99 0.28 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.621 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -157.9 167.39 30.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.621 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -154.48 157.59 38.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.403 ' CE1' ' HZ ' ' A' ' 54' ' ' PHE . 7.1 m-85 -110.33 140.67 44.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.479 HG11 ' CG2' ' A' ' 29' ' ' ILE . 2.3 t -126.11 107.1 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.27 134.35 33.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.451 ' CD1' ' HB1' ' A' ' 65' ' ' ALA . 51.7 m-85 -114.8 137.41 51.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 61' ' ' SER . 16.6 pt-20 -62.77 -49.08 76.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.417 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 58.6 m -86.77 119.93 27.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -45.79 -34.01 3.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 63' ' ' ARG . 0.4 OUTLIER -79.53 -40.71 28.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.6 -41.14 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 59' ' ' TYR . . . -75.92 -30.63 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.81 -37.43 67.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -86.54 -30.96 21.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.57 -41.32 89.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' MET . 3.0 ppt_? -69.89 -37.46 76.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -60.48 -9.28 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -98.31 -29.91 12.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.43 HD13 ' CG2' ' A' ' 33' ' ' THR . 4.6 mt -108.09 -2.62 19.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.648 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -55.52 -51.16 82.35 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 110.91 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.76 3.65 2.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.9 23.04 50.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.476 ' NE ' ' HB2' ' A' ' 74' ' ' PRO . 3.0 mpt_? -65.79 -38.64 89.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 78' ' ' GLN . 4.7 mp -92.46 134.81 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.433 ' N ' HG22 ' A' ' 77' ' ' ILE . 93.9 mt-30 -115.5 146.91 41.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.537 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 95.8 mt -103.42 112.73 25.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . 0.537 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 2.7 m-90 58.76 30.93 20.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.94 2.79 90.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.488 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 11.8 m170 -105.35 129.13 53.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -63.79 142.27 58.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.436 HG23 ' CD1' ' A' ' 79' ' ' LEU . 2.4 pp -135.19 152.95 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.86 138.15 46.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.087 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.447 HG13 ' CD1' ' A' ' 13' ' ' ILE . 15.6 m -106.75 130.37 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -134.41 155.3 50.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -72.02 105.82 4.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.441 ' O ' ' CD ' ' A' ' 90' ' ' GLU . . . -56.39 -57.91 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.058 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 89' ' ' ALA . 27.0 mp0 -160.1 140.58 8.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.737 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -50.69 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.332 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -162.87 108.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -98.09 -178.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -94.53 34.95 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 96' ' ' ASP . 15.5 m -52.99 -23.61 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.471 ' N ' HG23 ' A' ' 95' ' ' VAL . 7.6 t70 -55.99 -50.61 70.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -83.05 -57.38 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -127.99 116.06 19.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.443 HG11 ' N ' ' A' ' 100' ' ' MET . 9.2 p -119.32 -28.36 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.115 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.443 ' N ' HG11 ' A' ' 99' ' ' VAL . 24.1 ptt? -104.73 165.8 10.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -134.43 136.17 43.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.5 p -110.63 161.23 15.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.4 t -119.87 -55.54 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.1 p -58.66 96.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -99.78 157.44 19.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 107' ' ' SER . 54.0 Cg_endo -69.77 101.67 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' PRO . 58.5 m 35.56 42.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.7 t -69.06 -45.01 71.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.802 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -131.97 137.77 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.797 HD12 ' CE1' ' A' ' 59' ' ' TYR . 66.3 mt -97.37 136.72 37.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.517 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 60.1 t80 -85.23 102.17 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.59 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 22.1 mm -101.36 107.17 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.86 146.4 18.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.44 53.63 0.99 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.447 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.5 pt -137.8 150.69 68.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.657 0.741 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.466 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 54.2 Cg_endo -69.78 139.89 41.24 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -67.5 -29.35 68.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.6 ptp -47.58 -21.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.501 ' HE3' ' CG ' ' A' ' 80' ' ' TRP . 26.3 mmtt -93.01 154.87 17.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLU . 4.9 mtmm -122.67 153.09 39.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.51 ' HA ' HD12 ' A' ' 25' ' ' ILE . 16.7 ptt85 -34.73 -33.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' LYS . 12.4 mt-10 -61.19 -48.89 79.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 21' ' ' LYS . 29.2 mm-40 -70.11 -49.9 46.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.689 HD13 ' HB2' ' A' ' 55' ' ' ALA . 34.1 mt -46.95 -56.03 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.645 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.6 tp -43.51 -54.91 4.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.78 -63.68 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.76 ' HB3' HD22 ' A' ' 79' ' ' LEU . 1.2 mp0 -46.63 -21.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.898 HG21 HG11 ' A' ' 57' ' ' VAL . 10.1 mm -91.6 -39.23 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.23 -12.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -103.07 -49.47 3.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.006 HG23 HG23 ' A' ' 33' ' ' THR . 5.8 m -65.61 -29.55 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 1.006 HG23 HG23 ' A' ' 32' ' ' VAL . 30.4 p -140.22 121.32 14.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -91.79 127.67 37.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.65 14.75 4.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.912 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.7 m -84.8 132.45 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.747 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.6 tp -90.16 -50.88 5.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -162.26 162.59 28.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.645 HG21 ' HA ' ' A' ' 26' ' ' LEU . 25.6 t -116.51 138.84 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.624 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.689 ' HB2' HD13 ' A' ' 25' ' ' ILE . . . -155.83 156.49 34.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.503 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.5 m-85 -108.06 137.44 46.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.898 HG11 HG21 ' A' ' 29' ' ' ILE . 2.5 t -122.37 110.89 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -87.59 129.49 35.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.912 ' CE2' HG12 ' A' ' 36' ' ' VAL . 77.4 m-85 -111.85 127.27 55.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.747 ' HB3' HD13 ' A' ' 37' ' ' LEU . 13.6 pt-20 -53.06 -49.83 65.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.572 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 9.6 t -88.82 122.63 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -46.22 -33.06 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 65' ' ' ALA . 9.3 tpp85 -81.45 -42.67 20.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.65 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -39.61 -27.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.605 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -91.68 -39.77 11.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -62.89 -38.72 92.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -88.97 -12.08 42.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -84.27 -22.37 30.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.066 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 73' ' ' MET . 18.8 ptt85 -82.92 -37.56 24.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -62.36 -7.91 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -94.47 -30.13 14.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.441 HD21 ' HB ' ' A' ' 32' ' ' VAL . 6.6 mt -109.51 -6.42 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.639 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -54.1 -51.98 72.56 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.927 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.76 -2.27 9.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.43 28.31 73.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -71.38 -30.18 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.5 ' O ' HD11 ' A' ' 84' ' ' ILE . 4.7 mp -107.76 129.69 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -113.41 153.86 27.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.76 HD22 ' HB3' ' A' ' 28' ' ' GLU . 96.8 mt -107.44 116.28 31.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.8 m-90 59.67 29.12 18.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.21 1.36 90.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.458 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -103.06 134.58 46.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.81 141.84 58.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.654 HG21 HD12 ' A' ' 79' ' ' LEU . 2.4 pp -133.73 154.12 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.89 144.86 50.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.509 HG12 ' CD1' ' A' ' 13' ' ' ILE . 20.7 m -112.15 127.86 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -130.53 155.09 47.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -72.73 107.44 5.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.844 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.857 0.361 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -134.49 138.42 44.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.458 HD11 ' HB3' ' A' ' 68' ' ' ALA . 50.8 mt -94.54 138.69 32.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.653 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 58.2 t80 -85.56 102.67 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.586 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 23.1 mm -97.8 106.16 18.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -116.41 147.74 18.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.18 31.92 6.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.6 pt -105.52 151.37 39.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.646 0.736 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.57 17.83 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 19' ' ' MET . 38.3 mttt -58.44 -53.9 53.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.456 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 24.0 ptp -35.87 -40.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.456 ' CD ' ' HG3' ' A' ' 19' ' ' MET . 7.2 mptt -64.46 151.88 43.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.56 -179.07 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.458 ' HA ' HD12 ' A' ' 25' ' ' ILE . 24.7 ptt180 -68.78 -46.39 68.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -51.59 -37.46 49.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -74.99 -49.61 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 22' ' ' ARG . 18.0 mt -54.83 -45.1 74.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.605 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.9 tp -54.0 -56.14 20.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -60.93 -40.89 94.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.536 ' HB3' HD22 ' A' ' 79' ' ' LEU . 19.1 mm-40 -66.74 -17.9 65.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.723 HG22 HG11 ' A' ' 36' ' ' VAL . 9.6 mm -97.02 -38.42 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.28 -10.71 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -100.16 -47.54 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.666 HG23 HG23 ' A' ' 33' ' ' THR . 30.3 m -71.31 -26.85 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.666 HG23 HG23 ' A' ' 32' ' ' VAL . 41.0 p -142.62 112.36 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -86.21 134.12 33.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' HA3' ' HB1' ' A' ' 64' ' ' ALA . . . 121.44 7.41 8.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.915 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.5 m -77.05 159.41 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 111.169 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.75 HD13 ' HB3' ' A' ' 60' ' ' GLU . 9.9 tp -120.62 -49.16 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -161.25 147.91 14.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 56' ' ' PHE . 70.1 t -111.35 133.92 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.653 ' CE2' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.642 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -155.02 153.66 31.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.658 ' O ' HG13 ' A' ' 39' ' ' VAL . 6.5 m-85 -107.28 147.84 29.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.72 HG11 HG21 ' A' ' 29' ' ' ILE . 8.0 t -130.31 107.16 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -83.89 121.6 27.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.915 ' CE2' HG12 ' A' ' 36' ' ' VAL . 83.6 m-85 -104.93 126.86 52.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.75 ' HB3' HD13 ' A' ' 37' ' ' LEU . 15.7 pt-20 -56.09 -47.02 78.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.568 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 9.3 t -90.31 119.6 30.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -44.33 -35.17 2.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -79.04 -41.1 29.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.718 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -42.75 -26.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . . . -91.81 -42.9 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.421 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -59.22 -48.46 81.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.3 ptp -79.14 -14.38 59.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -82.62 -23.58 34.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.569 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 2.9 ptm180 -83.86 -39.33 20.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -63.3 -8.09 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -95.23 -32.52 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.611 HD23 HD13 ' A' ' 77' ' ' ILE . 13.7 mt -106.01 -3.1 22.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.648 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -56.34 -51.83 77.87 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.568 0.699 . . . . 0.0 110.882 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.0 Cg_endo -69.79 3.31 2.86 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.672 2.248 . . . . 0.0 112.364 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.43 27.7 61.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.0 mmt-85 -68.23 -33.48 74.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.611 HD13 HD23 ' A' ' 72' ' ' LEU . 4.6 mp -99.5 135.21 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -118.79 145.03 45.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.809 HD12 HG21 ' A' ' 84' ' ' ILE . 39.8 mt -103.44 121.31 42.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.569 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 3.5 m-90 55.38 35.37 24.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.82 4.79 77.75 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -107.14 136.01 47.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -69.29 148.49 49.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.809 HG21 HD12 ' A' ' 79' ' ' LEU . 2.5 pp -142.3 152.92 18.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.86 145.22 51.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.547 HG12 HD13 ' A' ' 13' ' ' ILE . 18.9 m -113.21 127.18 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -128.68 154.28 46.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.569 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 18.0 m95 -69.88 107.03 3.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 179.88 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.7 mtm-85 -138.15 147.34 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.401 HD12 ' CE1' ' A' ' 59' ' ' TYR . 19.8 mt -107.93 136.57 47.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.458 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 42.9 t80 -85.94 102.55 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CD1' HG12 ' A' ' 86' ' ' VAL . 9.9 mm -101.36 117.97 47.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.06 148.56 17.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.65 -5.22 47.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.461 HG22 HG21 ' A' ' 84' ' ' ILE . 13.7 pt -72.5 147.38 89.73 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.637 0.732 . . . . 0.0 111.115 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 54.0 Cg_endo -69.72 121.4 8.1 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.391 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -57.34 -34.28 68.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.0 ptp -43.57 -24.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.458 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 38.6 mmtt -84.57 178.5 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -133.88 175.29 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -61.65 -33.92 74.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.34 -40.31 89.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -73.99 -53.84 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.1 mt -44.31 -55.87 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.489 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.9 tp -45.0 -56.98 4.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -49.37 -53.05 24.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.701 ' HB3' HD22 ' A' ' 79' ' ' LEU . 13.2 mm-40 -60.6 -18.63 54.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.068 HG22 HG11 ' A' ' 36' ' ' VAL . 10.8 mm -89.19 -39.66 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.02 -12.48 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -103.84 -48.92 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.019 HG23 HG23 ' A' ' 33' ' ' THR . 4.8 m -66.65 -30.88 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 1.019 HG23 HG23 ' A' ' 32' ' ' VAL . 65.9 p -134.22 117.49 16.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -89.46 113.78 25.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.53 13.38 2.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 1.068 HG11 HG22 ' A' ' 29' ' ' ILE . 1.3 m -80.81 147.6 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.689 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.2 tp -102.55 -50.08 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.435 ' HA ' HD13 ' A' ' 26' ' ' LEU . 5.5 m-20 -162.69 174.33 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 56' ' ' PHE . 24.7 t -128.31 141.14 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.853 0.359 . . . . 0.0 110.865 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.57 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -155.0 152.64 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.49 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.2 m-85 -102.2 140.58 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.654 ' CG1' HG21 ' A' ' 29' ' ' ILE . 2.3 t -124.58 104.75 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -86.33 129.14 34.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.898 ' CE2' HG12 ' A' ' 36' ' ' VAL . 84.1 m-85 -114.04 134.38 54.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.689 ' HB3' HD13 ' A' ' 37' ' ' LEU . 11.3 pt-20 -59.37 -49.24 78.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.2 t -90.8 122.26 33.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -48.7 -24.97 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 66' ' ' ALA . 23.9 tpp180 -85.65 -44.05 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -39.74 -34.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.401 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . . . -83.57 -38.49 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.064 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.468 ' HA ' ' CH2' ' A' ' 88' ' ' TRP . . . -61.48 -42.82 99.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.08 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -83.66 -12.95 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -83.96 -42.34 16.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.635 ' O ' HG21 ' A' ' 86' ' ' VAL . 8.0 ppt_? -65.19 -36.43 84.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.481 ' N ' ' HD2' ' A' ' 69' ' ' ARG . 24.0 ptt85 -70.9 -8.43 52.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -94.34 -31.04 14.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.792 HD23 HD13 ' A' ' 77' ' ' ILE . 6.4 mt -107.17 3.4 25.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.635 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -63.24 -51.91 65.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.565 0.697 . . . . 0.0 110.9 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.8 Cg_endo -69.73 -3.73 12.58 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.71 25.5 74.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -65.98 -26.72 67.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.792 HD13 HD23 ' A' ' 72' ' ' LEU . 4.8 mp -110.79 141.24 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -123.82 143.27 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 28' ' ' GLU . 96.5 mt -101.39 118.09 36.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.577 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.3 m-90 60.03 35.89 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.62 1.32 65.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.41 139.05 42.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.24 153.88 42.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.532 HG21 HD12 ' A' ' 79' ' ' LEU . 2.2 pp -143.98 160.86 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.95 149.28 50.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.635 HG21 ' O ' ' A' ' 69' ' ' ARG . 20.7 m -122.48 123.24 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -129.17 149.63 50.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.468 ' CH2' ' HA ' ' A' ' 66' ' ' ALA . 17.0 m95 -64.74 109.41 2.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.909 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 62' ' ' HIS . 4.3 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 mtt85 -131.52 137.12 48.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.462 HD12 ' CE1' ' A' ' 59' ' ' TYR . 18.8 mt -93.9 140.85 29.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.519 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 55.8 t80 -85.99 102.1 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.587 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 12.0 mm -102.16 108.75 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.11 155.54 16.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.64 46.56 4.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.482 HD11 ' C ' ' A' ' 54' ' ' PHE . 45.1 pt -118.71 151.95 50.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.575 0.702 . . . . 0.0 111.139 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.411 ' HD2' ' CZ3' ' A' ' 80' ' ' TRP . 53.3 Cg_endo -69.81 148.68 65.27 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -84.94 -15.76 43.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.3 ptp -83.66 9.65 11.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -114.8 128.38 56.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -87.99 150.7 23.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.744 ' HA ' HD12 ' A' ' 25' ' ' ILE . 10.8 ptt85 -42.76 -45.93 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.17 -38.19 7.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -81.08 -40.41 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 22' ' ' ARG . 53.3 mt -55.42 -47.9 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.557 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.7 tp -51.27 -62.45 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -45.15 -56.71 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.816 ' O ' HG13 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -51.16 -27.01 7.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.001 HG22 HG11 ' A' ' 36' ' ' VAL . 26.5 mm -86.26 -40.76 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.29 -14.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -104.11 -49.24 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.021 HG23 HG23 ' A' ' 33' ' ' THR . 4.2 m -64.5 -30.44 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 1.021 HG23 HG23 ' A' ' 32' ' ' VAL . 51.6 p -141.13 114.22 8.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -85.16 127.69 34.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.25 10.59 6.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 1.001 HG11 HG22 ' A' ' 29' ' ' ILE . 1.6 m -80.17 158.14 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 111.105 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.561 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -115.37 -48.66 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.439 ' HA ' HD13 ' A' ' 26' ' ' LEU . 11.0 t0 -164.36 160.95 21.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.557 HG21 ' HA ' ' A' ' 26' ' ' LEU . 41.7 t -119.41 136.44 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 5.0 t80 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.848 0.356 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.527 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -146.77 162.68 38.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.464 ' O ' HG13 ' A' ' 39' ' ' VAL . 5.9 m-85 -116.65 137.98 51.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.867 HG11 HG21 ' A' ' 29' ' ' ILE . 3.1 t -121.61 107.2 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -85.8 122.73 30.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.945 ' CE2' HG12 ' A' ' 36' ' ' VAL . 70.4 m-85 -105.96 142.86 34.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.561 ' HB3' HD13 ' A' ' 37' ' ' LEU . 14.5 pt-20 -65.49 -50.4 65.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.7 t -96.38 124.3 40.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.586 ' CD2' ' SG ' ' A' ' 9' ' ' CYS . 8.9 t-80 -47.2 -31.57 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 tpp85 -73.64 -49.25 26.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.569 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -41.41 -33.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.2 -35.11 18.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.45 80.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -89.82 -28.11 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -64.69 -39.69 94.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.602 ' O ' HG21 ' A' ' 86' ' ' VAL . 5.0 ptm180 -63.78 -52.69 59.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 ttt85 -48.57 -19.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -79.34 -53.59 6.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.765 HD12 HG11 ' A' ' 86' ' ' VAL . 1.2 mt -90.66 7.44 39.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.636 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 6.5 ttm -63.9 -52.13 59.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.832 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.2 Cg_endo -69.8 -4.36 13.89 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.71 26.67 68.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.437 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.4 mmm-85 -67.93 -39.24 83.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.459 HD13 HD23 ' A' ' 72' ' ' LEU . 4.3 mp -100.38 148.37 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -130.07 160.92 32.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.705 HD22 ' HB3' ' A' ' 28' ' ' GLU . 65.2 mt -115.79 119.31 35.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.587 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 3.7 m-90 54.18 45.0 28.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.08 2.75 14.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.6 132.66 47.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.743 0.306 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -64.9 130.82 44.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.438 HG21 HD12 ' A' ' 79' ' ' LEU . 2.8 pp -124.84 158.26 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.12 145.99 42.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.765 HG11 HD12 ' A' ' 72' ' ' LEU . 15.8 m -113.15 131.2 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -141.61 163.18 33.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.433 ' NE1' ' CZ ' ' A' ' 69' ' ' ARG . 19.1 m95 -74.32 135.81 42.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.884 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.805 0.336 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -144.53 138.19 27.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 68' ' ' ALA . 32.2 mt -98.63 140.45 32.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.523 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 47.1 t80 -88.34 104.78 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.539 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 10.5 mm -102.37 118.68 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.157 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.57 144.7 15.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.46 37.83 3.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.418 ' CD1' ' HB2' ' A' ' 55' ' ' ALA . 25.1 pt -118.2 151.48 49.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 111.111 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 130.33 19.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.238 . . . . 0.0 112.36 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 19' ' ' MET . 28.1 mttt -64.19 -49.95 70.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 18' ' ' LYS . 5.2 ptp -34.44 -38.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -59.93 170.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -130.63 150.27 51.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -39.8 -42.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 13.0 pt-20 -54.46 -51.18 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.486 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 4.6 mp0 -62.63 -48.46 79.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.4 mt -53.78 -56.67 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.049 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 tp -43.86 -57.34 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -51.28 -55.69 16.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.785 ' O ' HG13 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -54.71 -23.0 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.969 HG22 HG11 ' A' ' 36' ' ' VAL . 12.8 mm -87.72 -40.03 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.39 -14.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -104.27 -50.21 3.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.992 HG23 HG23 ' A' ' 33' ' ' THR . 4.0 m -64.56 -29.28 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.992 HG23 HG23 ' A' ' 32' ' ' VAL . 41.6 p -141.12 116.22 9.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -87.57 128.19 35.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.79 16.68 4.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.969 HG11 HG22 ' A' ' 29' ' ' ILE . 1.2 m -85.02 151.8 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.624 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.2 tp -109.56 -50.59 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -164.33 162.78 22.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 56' ' ' PHE . 15.4 t -115.66 147.32 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.0 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.096 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.626 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.626 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -157.52 153.56 27.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.418 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.4 m-85 -105.08 134.98 47.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.78 HG11 HG21 ' A' ' 29' ' ' ILE . 2.4 t -120.28 102.32 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -82.87 135.33 34.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.864 ' CE2' HG12 ' A' ' 36' ' ' VAL . 81.5 m-85 -120.24 134.13 55.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.624 ' HB3' HD13 ' A' ' 37' ' ' LEU . 13.6 pt-20 -54.71 -48.85 71.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.2 p -100.84 125.55 47.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -48.0 -30.93 4.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.3 tpp180 -73.19 -44.94 59.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.637 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -46.24 -27.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.13 -40.18 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.2 91.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.0 ptp -86.9 -18.48 30.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -75.51 -40.31 57.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -68.75 -46.92 67.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.476 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 12.0 ttt85 -52.7 -16.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -88.38 -38.62 14.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.561 HD23 HD13 ' A' ' 77' ' ' ILE . 2.7 mt -100.84 0.98 39.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.637 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -58.29 -52.08 77.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.539 0.685 . . . . 0.0 110.862 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.76 3.22 2.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.242 . . . . 0.0 112.333 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.51 18.6 63.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.5 mtp-105 -60.11 -34.6 73.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.745 0.307 . . . . 0.0 110.824 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.561 HD13 HD23 ' A' ' 72' ' ' LEU . 2.8 mp -98.73 144.61 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -128.02 150.57 49.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.747 HD12 HG21 ' A' ' 84' ' ' ILE . 79.1 mt -109.56 115.75 30.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.563 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.3 m-90 58.62 39.31 24.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.24 3.55 57.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -103.74 132.05 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -66.0 138.7 57.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.747 HG21 HD12 ' A' ' 79' ' ' LEU . 2.5 pp -130.86 154.72 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.42 138.99 45.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.508 HG12 ' CD1' ' A' ' 13' ' ' ILE . 16.6 m -104.76 135.48 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -137.87 151.98 48.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.436 ' O ' ' C ' ' A' ' 89' ' ' ALA . 5.1 m95 -70.21 102.11 2.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -125.99 136.24 52.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 11' ' ' LEU . 18.1 mt -95.93 137.11 35.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.418 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 34.2 t80 -85.11 103.97 14.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.535 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 11.8 mm -101.81 117.5 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.28 136.28 9.05 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.545 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.58 -0.41 24.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.411 HG22 HG21 ' A' ' 84' ' ' ILE . 6.7 pt -77.78 145.63 70.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.63 0.729 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.452 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.8 Cg_endo -69.82 122.27 8.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.242 . . . . 0.0 112.372 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' LYS . 28.5 mttt -57.16 -34.43 68.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.45 ' CG ' ' HE2' ' A' ' 20' ' ' LYS . 5.6 ptp -43.48 -22.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HE3' ' CG ' ' A' ' 80' ' ' TRP . 32.4 mmtt -85.52 -177.73 6.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.65 155.27 45.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.487 ' HA ' HD12 ' A' ' 25' ' ' ILE . 27.5 ptt180 -42.87 -40.71 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.52 -39.65 88.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -75.94 -46.64 28.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 22' ' ' ARG . 30.1 mt -52.32 -54.05 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 tp -44.39 -60.39 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -50.12 -50.22 49.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.598 ' HB3' HD22 ' A' ' 79' ' ' LEU . 32.0 mm-40 -62.2 -14.79 41.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.042 HG22 HG11 ' A' ' 36' ' ' VAL . 19.9 mm -95.86 -38.93 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.5 -12.87 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.94 -52.03 3.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.939 HG23 HG23 ' A' ' 33' ' ' THR . 4.1 m -66.17 -23.24 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.939 HG23 HG23 ' A' ' 32' ' ' VAL . 70.7 p -145.47 110.02 5.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -84.65 127.46 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.25 14.0 5.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 1.042 HG11 HG22 ' A' ' 29' ' ' ILE . 1.3 m -83.03 155.38 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 111.104 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.522 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.0 tp -113.56 -49.6 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -164.21 155.52 15.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 56' ' ' PHE . 11.4 t -114.21 137.82 46.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.904 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.647 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.834 0.35 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.647 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -158.4 152.06 23.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.432 ' O ' HG13 ' A' ' 39' ' ' VAL . 10.9 m-85 -100.65 139.61 36.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.664 HG11 HG21 ' A' ' 29' ' ' ILE . 2.3 t -125.15 100.86 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -84.05 136.13 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.893 ' CE2' HG12 ' A' ' 36' ' ' VAL . 65.7 m-85 -119.94 136.62 54.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.522 ' HB3' HD13 ' A' ' 37' ' ' LEU . 15.9 pt-20 -55.31 -46.45 76.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 56.4 p -106.34 122.03 45.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -46.43 -24.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -75.73 -44.14 43.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -49.49 -31.02 9.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.68 -42.23 18.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.03 82.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -75.56 -29.06 59.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -65.34 -53.6 41.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.529 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 6.0 ptm180 -57.37 -39.96 77.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.414 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 7.5 ttm105 -62.29 -8.92 6.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -100.12 -25.17 14.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.698 HD23 HD13 ' A' ' 77' ' ' ILE . 1.2 mt -112.43 1.69 16.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.636 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -60.15 -51.99 76.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 110.849 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.1 Cg_endo -69.77 -2.25 9.86 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.8 28.77 73.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -68.19 -32.8 73.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.698 HD13 HD23 ' A' ' 72' ' ' LEU . 5.0 mp -100.13 137.56 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -118.11 140.77 49.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.769 HD12 HG21 ' A' ' 84' ' ' ILE . 71.5 mt -101.11 118.74 37.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.56 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.0 m-90 60.39 35.39 20.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.79 1.99 68.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.63 137.79 45.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.742 0.306 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.42 154.24 42.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.769 HG21 HD12 ' A' ' 79' ' ' LEU . 2.2 pp -144.28 156.71 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.99 137.73 53.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.694 HG11 HD12 ' A' ' 72' ' ' LEU . 15.6 m -113.15 119.21 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 88' ' ' TRP . 1.9 t70 -124.86 162.73 23.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.529 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 21.5 m95 -76.48 101.47 5.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.089 179.885 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -134.1 137.99 44.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.629 HD12 ' CE1' ' A' ' 59' ' ' TYR . 35.6 mt -98.98 139.22 34.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.505 ' CD1' ' CE2' ' A' ' 54' ' ' PHE . 62.7 t80 -85.24 102.13 13.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 21.3 mm -101.06 102.33 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.09 154.23 16.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.22 64.91 1.44 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.421 HD11 ' C ' ' A' ' 54' ' ' PHE . 19.8 pt -142.47 153.7 62.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.4 Cg_endo -69.8 142.6 48.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' LYS . 28.9 mttt -76.42 -40.95 49.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.6 ptp -38.62 -26.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' LYS . 32.0 mmtt -76.11 -174.81 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -144.04 158.23 43.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.444 ' HA ' HD12 ' A' ' 25' ' ' ILE . 26.5 ptt180 -49.46 -38.2 28.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.4 -40.94 85.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.64 -46.64 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 22' ' ' ARG . 25.4 mt -52.08 -48.95 41.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.638 ' HA ' HG21 ' A' ' 39' ' ' VAL . 4.0 tp -43.41 -59.84 1.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -49.07 -61.79 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.76 ' O ' HG13 ' A' ' 32' ' ' VAL . 16.0 mm-40 -45.81 -26.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.015 HG21 HG11 ' A' ' 57' ' ' VAL . 18.5 mm -87.97 -39.75 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.61 -13.05 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -103.77 -49.25 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.028 HG23 HG23 ' A' ' 33' ' ' THR . 3.9 m -64.8 -31.69 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 1.028 HG23 HG23 ' A' ' 32' ' ' VAL . 44.8 p -139.75 115.52 10.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -86.1 126.88 34.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.82 12.73 4.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.978 HG11 HG22 ' A' ' 29' ' ' ILE . 2.3 m -83.45 135.6 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.2 tp -92.2 -51.54 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -164.15 160.18 21.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.638 HG21 ' HA ' ' A' ' 26' ' ' LEU . 89.6 t -111.37 136.33 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.683 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.852 0.358 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.683 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -160.56 155.39 24.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.623 ' O ' HG13 ' A' ' 39' ' ' VAL . 36.3 m-85 -101.61 135.21 43.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.015 HG11 HG21 ' A' ' 29' ' ' ILE . 2.5 t -122.47 110.47 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -83.25 143.13 30.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.886 ' CE2' HG12 ' A' ' 36' ' ' VAL . 74.9 m-85 -126.01 126.07 43.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.631 ' HB3' HD13 ' A' ' 37' ' ' LEU . 11.5 pt-20 -53.78 -48.0 70.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 2.2 t -91.69 120.47 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -44.46 -33.48 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 65' ' ' ALA . 21.2 tpp180 -79.77 -43.36 22.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.719 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -40.52 -27.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.433 ' HB1' ' HG ' ' A' ' 11' ' ' LEU . . . -91.59 -43.71 9.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -59.27 -45.82 90.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -79.33 -23.04 43.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -69.76 -29.99 67.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HA ' HG21 ' A' ' 86' ' ' VAL . 10.4 ptt180 -78.62 -36.03 44.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -62.01 -8.45 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -99.27 -23.65 15.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.724 HD12 HG11 ' A' ' 86' ' ' VAL . 1.6 mt -116.91 1.37 12.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.635 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -60.67 -52.0 75.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.836 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.3 Cg_endo -69.85 -7.01 19.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.62 28.76 62.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -67.04 -36.95 83.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.448 HD13 HD23 ' A' ' 72' ' ' LEU . 4.3 mp -101.49 146.88 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -126.51 153.61 44.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 28' ' ' GLU . 80.7 mt -108.48 120.14 41.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.4 m-90 54.48 35.66 23.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.38 9.35 81.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.07 135.61 50.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.841 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.9 137.22 58.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.619 HG21 HD12 ' A' ' 79' ' ' LEU . 2.7 pp -130.9 154.35 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.66 147.01 50.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.724 HG11 HD12 ' A' ' 72' ' ' LEU . 17.4 m -116.79 125.13 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -131.66 166.38 21.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -79.45 112.28 16.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.1 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 58' ' ' GLU . 30.5 mtm180 -142.97 141.63 31.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 68' ' ' ALA . 42.6 mt -95.23 142.03 28.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.644 ' CD1' ' CE2' ' A' ' 54' ' ' PHE . 52.9 t80 -85.92 102.13 13.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.602 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 10.9 mm -100.51 105.32 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.83 146.33 18.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.63 46.21 3.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.519 HG22 HG21 ' A' ' 84' ' ' ILE . 48.9 pt -117.59 151.99 49.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.66 0.743 . . . . 0.0 111.082 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.564 ' HB3' ' CD2' ' A' ' 82' ' ' HIS . 54.0 Cg_endo -69.7 126.76 13.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -64.82 -39.38 93.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.9 ptp -41.5 -36.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 33.3 mmtt -76.35 173.54 11.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -134.05 165.65 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -47.83 -32.47 6.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.457 ' N ' ' HG2' ' A' ' 22' ' ' ARG . 14.9 pt-20 -68.9 -32.43 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -84.02 -37.03 22.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.5 mt -64.97 -55.25 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.554 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.6 tp -41.12 -54.25 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -53.6 -65.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.886 ' HB3' HD22 ' A' ' 79' ' ' LEU . 40.9 mm-40 -45.93 -21.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.98 HG22 HG11 ' A' ' 36' ' ' VAL . 10.6 mm -90.58 -41.5 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.39 -13.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.81 -50.29 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.999 HG23 HG23 ' A' ' 33' ' ' THR . 5.8 m -64.03 -30.99 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.999 HG23 HG23 ' A' ' 32' ' ' VAL . 38.9 p -137.67 117.35 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -89.13 119.28 29.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.82 16.25 1.83 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.989 HG12 ' CE2' ' A' ' 59' ' ' TYR . 2.5 m -85.16 157.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.863 0.364 . . . . 0.0 111.133 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.655 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -115.34 -48.65 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.467 ' HA ' HD13 ' A' ' 26' ' ' LEU . 27.9 t70 -164.42 161.36 21.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' A' ' 26' ' ' LEU . 21.7 t -121.33 137.6 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.8 mp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.644 ' CE2' ' CD1' ' A' ' 12' ' ' PHE . 6.7 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.567 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -145.11 152.18 39.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -111.75 110.17 20.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.677 HG11 HG21 ' A' ' 29' ' ' ILE . 5.2 t -97.45 107.55 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.462 ' HA ' ' CG ' ' A' ' 10' ' ' ARG . 2.4 tt0 -86.57 117.93 25.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.989 ' CE2' HG12 ' A' ' 36' ' ' VAL . 88.7 m-85 -103.01 131.95 49.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.655 ' HB3' HD13 ' A' ' 37' ' ' LEU . 15.3 pt-20 -59.41 -48.45 81.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t -92.66 123.07 35.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -47.96 -30.68 4.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -78.95 -44.68 21.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.662 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -42.11 -27.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.545 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -88.91 -43.55 11.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.02 -48.17 82.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -76.28 -20.7 57.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -73.25 -46.07 52.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.525 ' HA ' HG21 ' A' ' 86' ' ' VAL . 4.9 ptm180 -63.39 -37.06 85.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -62.2 -8.06 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -98.07 -34.93 10.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.476 HD23 HD13 ' A' ' 77' ' ' ILE . 6.2 mt -104.83 4.92 32.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.643 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -61.1 -52.11 74.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.5 Cg_endo -69.77 -5.56 16.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.45 24.95 76.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -66.44 -31.46 72.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.476 HD13 HD23 ' A' ' 72' ' ' LEU . 3.9 mp -100.71 139.69 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -123.02 146.02 48.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.886 HD22 ' HB3' ' A' ' 28' ' ' GLU . 75.9 mt -107.83 118.5 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.546 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.9 m-90 60.37 35.3 20.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.54 1.4 65.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.564 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -105.34 138.11 42.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -73.77 142.91 46.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.519 HG21 HG22 ' A' ' 16' ' ' ILE . 2.3 pp -136.02 160.52 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.87 155.29 48.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.525 HG21 ' HA ' ' A' ' 69' ' ' ARG . 14.5 m -123.33 120.95 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -125.71 170.91 11.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -83.63 104.33 13.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 179.909 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.8 0.334 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -137.51 140.23 41.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.596 HD12 ' CE1' ' A' ' 59' ' ' TYR . 24.2 mt -98.32 136.82 37.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.465 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 49.6 t80 -85.52 102.3 13.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.6 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 11.2 mm -100.12 115.62 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.1 143.69 16.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.12 45.73 2.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 pt -121.59 151.02 56.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 0.0 111.089 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.6 Cg_endo -69.73 130.08 18.75 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.686 2.258 . . . . 0.0 112.336 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' H ' ' CD ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -68.3 -44.47 75.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 18' ' ' LYS . 21.0 ptp -34.97 -38.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 43.7 mmtt -64.65 -176.96 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -140.52 159.91 41.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -48.18 -44.49 32.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.18 -35.63 71.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.09 -52.85 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.3 mt -49.09 -48.27 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.43 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.5 tp -51.45 -59.93 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -49.23 -43.36 42.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.623 ' HB3' HD22 ' A' ' 79' ' ' LEU . 35.5 mm-40 -65.52 -23.85 66.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.08 HG22 HG11 ' A' ' 36' ' ' VAL . 15.7 mm -86.21 -40.6 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.26 -13.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt -104.66 -50.09 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.82 HG23 HG23 ' A' ' 33' ' ' THR . 10.5 m -67.41 -24.85 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.82 HG23 HG23 ' A' ' 32' ' ' VAL . 58.2 p -145.14 114.73 7.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -86.4 128.48 34.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.14 13.87 5.23 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 1.08 HG11 HG22 ' A' ' 29' ' ' ILE . 1.7 m -85.34 155.86 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.775 HD13 ' HB3' ' A' ' 60' ' ' GLU . 9.9 tp -114.92 -49.25 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -160.22 160.6 32.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 56' ' ' PHE . 19.4 t -123.24 132.47 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.638 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.871 0.367 . . . . 0.0 110.909 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.638 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -158.39 151.49 22.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.449 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.3 m-85 -101.11 141.04 34.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.781 HG11 HG21 ' A' ' 29' ' ' ILE . 2.7 t -126.42 104.27 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.159 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -83.21 133.97 34.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.917 ' CE2' HG12 ' A' ' 36' ' ' VAL . 89.8 m-85 -117.66 128.0 54.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.775 ' HB3' HD13 ' A' ' 37' ' ' LEU . 16.8 pt-20 -58.57 -44.55 89.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.674 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 3.4 t -88.99 123.29 33.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.427 ' O ' ' ND1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -47.87 -32.83 6.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -83.9 -41.45 17.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.674 ' HB2' ' HB3' ' A' ' 61' ' ' SER . . . -37.36 -36.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.77 -45.89 20.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.03 72.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -87.79 -24.05 23.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -73.67 -30.84 63.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.589 ' CZ ' ' CE ' ' A' ' 73' ' ' MET . 0.1 OUTLIER -81.23 -46.72 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.458 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -52.04 -19.27 1.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -86.42 -45.44 11.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.537 HD11 ' CG2' ' A' ' 33' ' ' THR . 4.1 mt -89.33 -3.23 58.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.638 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 3.3 ttt -59.13 -51.84 78.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.601 0.715 . . . . 0.0 110.927 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.76 3.46 2.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.12 26.42 63.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -67.45 -30.41 70.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.432 HD13 HD23 ' A' ' 72' ' ' LEU . 5.0 mp -106.3 147.42 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -129.42 145.96 51.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.794 HD12 HG21 ' A' ' 84' ' ' ILE . 65.9 mt -102.21 116.29 32.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.4 m-90 59.35 36.95 23.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.16 3.99 71.54 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.6 134.42 50.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.723 0.297 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -68.05 148.6 50.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.794 HG21 HD12 ' A' ' 79' ' ' LEU . 2.2 pp -138.47 155.45 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.48 144.1 51.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.475 HG12 ' CD1' ' A' ' 13' ' ' ILE . 28.4 m -112.84 133.06 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -137.04 154.67 50.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -70.1 112.46 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.063 179.879 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.851 0.358 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -144.9 142.73 30.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.568 HD21 ' HB1' ' A' ' 65' ' ' ALA . 60.9 mt -102.57 141.74 34.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.445 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 37.4 t80 -88.42 102.22 14.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.76 ' CD1' HG12 ' A' ' 86' ' ' VAL . 19.7 mm -101.91 111.93 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.76 154.11 17.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.92 -9.92 51.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.571 HD11 ' C ' ' A' ' 54' ' ' PHE . 13.6 pt -67.9 151.58 97.08 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 0.0 111.159 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.523 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.7 Cg_endo -69.74 138.57 38.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.294 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' LYS . 13.8 mtmt -65.63 -52.09 54.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.405 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 14.0 ptp -38.14 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 18' ' ' LYS . 9.0 mptt -72.64 152.5 41.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -109.39 172.43 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.707 ' HA ' HD12 ' A' ' 25' ' ' ILE . 7.9 ptm180 -61.93 -48.29 81.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -48.09 -42.7 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -69.94 -51.83 29.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 22' ' ' ARG . 30.3 mt -47.02 -56.56 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.508 ' HA ' HG21 ' A' ' 39' ' ' VAL . 4.0 tp -46.53 -62.25 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -52.09 -57.06 10.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.478 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 10.1 tp10 -53.05 -17.2 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.01 HG21 HG11 ' A' ' 57' ' ' VAL . 5.7 mm -94.76 -38.99 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.48 -12.94 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.478 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 1.8 ptpm? -97.39 -54.96 2.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.847 HG23 HG23 ' A' ' 33' ' ' THR . 34.8 m -63.54 -29.97 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.847 HG23 HG23 ' A' ' 32' ' ' VAL . 29.8 p -137.84 113.14 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -88.18 123.1 32.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.02 15.1 1.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.838 HG11 HG22 ' A' ' 29' ' ' ILE . 2.0 m -83.96 154.69 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.373 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.545 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.2 tp -112.9 -49.71 2.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -164.02 160.31 21.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.508 HG21 ' HA ' ' A' ' 26' ' ' LEU . 18.3 t -114.79 137.11 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.684 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.684 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -159.93 151.65 20.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -103.59 128.11 50.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.01 HG11 HG21 ' A' ' 29' ' ' ILE . 2.2 t -115.49 108.21 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -82.08 138.0 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.752 ' CE2' HG12 ' A' ' 36' ' ' VAL . 65.0 m-85 -120.3 129.76 54.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.545 ' HB3' HD13 ' A' ' 37' ' ' LEU . 12.6 pt-20 -55.39 -47.97 75.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 32.2 t -94.4 127.31 40.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -51.94 -26.71 11.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -83.26 -42.52 17.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.656 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -44.09 -27.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.568 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -88.14 -43.04 11.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.03 -52.12 66.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.8 ptp -71.35 -23.34 61.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -71.72 -44.16 64.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 73' ' ' MET . 4.4 ptm180 -66.59 -43.82 83.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -54.51 -14.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -89.17 -40.64 12.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.537 HD23 HD13 ' A' ' 77' ' ' ILE . 4.8 mt -100.0 1.22 42.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.631 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -58.28 -52.23 76.07 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.72 0.97 4.85 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.733 2.288 . . . . 0.0 112.316 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.57 33.26 86.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -73.93 -33.5 63.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.537 HD13 HD23 ' A' ' 72' ' ' LEU . 4.9 mp -103.26 139.06 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -117.34 147.58 42.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.665 HD12 HG21 ' A' ' 84' ' ' ILE . 81.5 mt -102.92 114.53 28.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.59 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 2.7 m-90 58.53 41.7 22.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.9 7.04 58.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.523 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 10.4 m170 -109.15 138.16 45.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -67.17 143.5 56.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.665 HG21 HD12 ' A' ' 79' ' ' LEU . 2.6 pp -137.1 154.58 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -137.5 140.34 41.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.76 HG12 ' CD1' ' A' ' 13' ' ' ILE . 3.8 m -107.65 132.41 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -135.55 157.03 47.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -74.11 111.06 8.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.872 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.8 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.88 0.372 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.465 ' HG2' ' CA ' ' A' ' 58' ' ' GLU . 28.5 mtm105 -139.05 145.48 39.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.76 HD12 ' CE1' ' A' ' 59' ' ' TYR . 48.0 mt -98.61 139.79 33.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -85.21 102.07 13.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.6 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 17.0 mm -102.76 105.49 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.0 147.53 18.92 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.54 54.32 1.35 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.9 pt -137.29 149.63 66.37 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.631 0.729 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.491 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.7 Cg_endo -69.76 129.52 17.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.339 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' LYS . 39.0 mttt -59.27 -38.82 81.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.7 ptp -38.17 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.491 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 21.8 mmtt -70.97 172.7 8.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 24' ' ' GLU . 25.6 mtmt -138.13 143.32 40.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' LYS . 24.8 ptt180 -37.29 -37.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -65.06 -42.67 93.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 21' ' ' LYS . 3.8 mm-40 -73.85 -58.12 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.6 mt -39.58 -53.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.4 tp -43.26 -60.7 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -46.44 -54.81 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.602 ' O ' HG13 ' A' ' 32' ' ' VAL . 20.6 mm-40 -57.19 -19.25 19.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.795 HG21 HG11 ' A' ' 57' ' ' VAL . 21.8 mm -92.96 -37.76 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.191 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.52 -12.42 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -102.64 -46.47 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.988 HG23 HG23 ' A' ' 33' ' ' THR . 4.3 m -68.21 -29.32 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.988 HG23 HG23 ' A' ' 32' ' ' VAL . 43.3 p -140.25 115.32 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -87.61 122.21 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.441 ' HA3' ' HB1' ' A' ' 64' ' ' ALA . . . 127.56 16.74 2.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.971 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.4 m -84.63 156.61 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.662 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.9 tp -115.36 -49.78 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -164.32 169.15 17.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 t -122.02 145.67 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.404 HD12 ' HD3' ' A' ' 10' ' ' ARG . 16.7 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.553 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -150.1 155.83 40.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.405 ' CE1' ' HZ ' ' A' ' 54' ' ' PHE . 5.7 m-85 -108.25 133.15 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.795 HG11 HG21 ' A' ' 29' ' ' ILE . 4.4 t -117.41 106.2 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.465 ' CA ' ' HG2' ' A' ' 10' ' ' ARG . 4.9 tt0 -85.4 123.79 31.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.971 ' CE2' HG12 ' A' ' 36' ' ' VAL . 58.4 m-85 -106.27 141.06 38.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.662 ' HB3' HD13 ' A' ' 37' ' ' LEU . 12.3 pt-20 -66.89 -50.19 63.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.477 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 39.3 t -88.67 118.16 28.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -43.84 -34.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -76.89 -44.28 32.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.741 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -43.07 -31.85 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.447 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . . . -85.22 -43.68 13.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -59.66 -48.37 81.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -78.17 -13.26 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -81.31 -23.86 37.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.55 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 3.6 ptm180 -86.42 -40.53 15.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -60.06 -10.53 4.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -95.7 -34.58 11.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.628 HD12 HG11 ' A' ' 86' ' ' VAL . 5.8 mt -102.17 2.1 36.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.646 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -65.14 -51.51 54.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.864 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.78 3.55 2.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.2 30.03 76.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.497 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -69.25 -36.17 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.566 HD13 HD23 ' A' ' 72' ' ' LEU . 4.9 mp -103.87 146.55 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.486 ' NE2' ' HA ' ' A' ' 83' ' ' GLN . 24.6 mm-40 -123.35 161.09 25.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.637 HD12 HG21 ' A' ' 84' ' ' ILE . 39.6 mt -117.63 118.51 32.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.0 m-90 52.95 45.85 27.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.14 6.67 27.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -108.76 144.42 36.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.486 ' HA ' ' NE2' ' A' ' 78' ' ' GLN . 33.4 tt0 -69.66 149.55 47.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.637 HG21 HD12 ' A' ' 79' ' ' LEU . 2.5 pp -143.19 152.6 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.37 138.0 44.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.628 HG11 HD12 ' A' ' 72' ' ' LEU . 15.8 m -107.33 133.49 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.83 164.18 28.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.55 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 17.3 m95 -79.95 112.25 17.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.871 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 65' ' ' ALA . 1.8 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.763 0.316 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -137.95 135.01 35.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.62 HD12 ' CE1' ' A' ' 59' ' ' TYR . 33.8 mt -99.14 139.11 35.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -86.16 104.65 15.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.578 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 8.6 mm -104.55 111.98 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.33 145.86 16.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.52 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.47 37.89 4.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.416 HD11 ' C ' ' A' ' 54' ' ' PHE . 13.2 pt -111.23 152.57 43.89 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.662 0.744 . . . . 0.0 111.108 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 133.98 26.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' MET . 18.0 mttp -66.02 -50.7 63.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' LYS . 10.5 ptp -37.5 -35.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -62.92 167.72 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -126.44 165.52 18.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.808 ' HA ' HD12 ' A' ' 25' ' ' ILE . 34.9 ptt180 -58.89 -47.85 83.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 9.1 pt-20 -53.65 -31.26 46.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -81.12 -45.95 15.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 22' ' ' ARG . 19.0 mt -51.41 -54.83 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 38' ' ' ASP . 5.3 tp -46.31 -53.94 9.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.82 -60.36 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.635 ' O ' HG13 ' A' ' 32' ' ' VAL . 26.9 mm-40 -50.63 -22.29 1.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.955 HG22 HG11 ' A' ' 36' ' ' VAL . 8.5 mm -89.74 -37.86 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.54 -12.65 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.8 -51.19 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.041 HG23 HG23 ' A' ' 33' ' ' THR . 3.7 m -66.26 -30.53 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 1.041 HG23 HG23 ' A' ' 32' ' ' VAL . 50.9 p -134.3 113.22 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -87.85 124.15 33.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.04 10.79 5.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.955 HG11 HG22 ' A' ' 29' ' ' ILE . 1.1 m -80.37 151.84 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.143 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.675 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -109.3 -50.51 2.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.436 ' HA ' HD13 ' A' ' 26' ' ' LEU . 28.7 t70 -163.3 162.43 25.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 56' ' ' PHE . 10.5 t -116.56 137.7 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.606 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.606 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -153.07 157.16 40.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.454 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.0 m-85 -106.57 139.35 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.638 HG11 HG21 ' A' ' 29' ' ' ILE . 5.6 t -122.74 109.32 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -86.58 136.54 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.906 ' CE2' HG12 ' A' ' 36' ' ' VAL . 78.8 m-85 -122.78 128.63 50.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.675 ' HB3' HD13 ' A' ' 37' ' ' LEU . 11.7 pt-20 -56.34 -48.97 75.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.57 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 4.1 m -88.25 114.86 25.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -42.66 -30.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -82.98 -38.14 23.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.713 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -45.64 -27.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.067 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.495 ' O ' HD21 ' A' ' 11' ' ' LEU . . . -92.48 -37.02 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.6 93.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -89.43 -12.74 39.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -82.32 -18.42 42.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.424 ' O ' HG21 ' A' ' 86' ' ' VAL . 4.0 ptt-85 -82.23 -36.6 27.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -65.65 -8.3 19.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -95.89 -19.32 19.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.823 HD12 HG11 ' A' ' 86' ' ' VAL . 1.6 mt -124.06 4.51 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.635 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -65.76 -52.03 45.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.525 0.679 . . . . 0.0 110.883 179.816 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.79 -2.57 10.41 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.35 21.83 78.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -62.43 -34.68 77.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.74 147.85 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -127.99 150.06 50.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 28' ' ' GLU . 26.3 mt -103.55 113.01 26.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.5 m-90 59.46 37.88 22.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.71 3.25 66.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.97 133.13 51.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.718 0.294 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -61.48 141.28 57.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.99 154.67 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.85 144.79 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.146 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.823 HG11 HD12 ' A' ' 72' ' ' LEU . 13.5 m -118.78 125.25 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -139.49 164.83 28.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -68.8 127.06 31.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 179.935 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -137.78 144.31 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.551 HD12 ' CE1' ' A' ' 59' ' ' TYR . 34.2 mt -97.43 138.17 35.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 87' ' ' ASP . 34.3 t80 -84.98 102.15 12.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 24.0 mm -99.64 108.41 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.171 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.94 147.35 18.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.498 ' O ' HG22 ' A' ' 84' ' ' ILE . . . 92.1 60.36 1.26 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.2 pt -136.4 149.87 68.95 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 111.116 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.504 ' HD2' ' CE3' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.73 126.31 13.18 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 19' ' ' MET . 37.7 mttt -61.68 -45.18 95.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.7 ptp -33.5 -40.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 29.8 mmtt -63.97 -174.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.19 158.79 43.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.514 ' HA ' HD12 ' A' ' 25' ' ' ILE . 16.3 ptt180 -46.09 -43.99 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -56.99 -36.82 70.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -76.46 -51.55 11.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 22' ' ' ARG . 16.9 mt -49.48 -49.49 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.593 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.6 tp -49.99 -58.48 5.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -53.93 -54.14 42.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.568 ' HB3' HD22 ' A' ' 79' ' ' LEU . 1.1 mp0 -54.0 -19.65 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.718 HG22 HG11 ' A' ' 36' ' ' VAL . 7.0 mm -95.62 -36.98 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.82 -11.93 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.069 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.44 -50.33 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.941 HG23 HG23 ' A' ' 33' ' ' THR . 18.0 m -67.12 -33.89 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.941 HG23 HG23 ' A' ' 32' ' ' VAL . 34.5 p -135.06 112.82 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -87.07 133.9 33.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.22 2.72 10.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.864 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.4 m -69.97 153.64 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.589 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.2 tp -112.95 -48.79 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -162.87 160.55 25.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 56' ' ' PHE . 42.7 t -118.84 136.35 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.6 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.924 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.619 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.619 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -151.9 160.43 43.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.62 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.1 m-85 -112.28 141.33 46.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.681 HG11 HG21 ' A' ' 29' ' ' ILE . 3.4 t -127.01 108.26 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -86.36 123.46 31.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.864 ' CE2' HG12 ' A' ' 36' ' ' VAL . 80.7 m-85 -105.34 135.15 47.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.589 ' HB3' HD13 ' A' ' 37' ' ' LEU . 14.1 pt-20 -56.81 -51.86 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.8 m -94.24 131.96 39.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -56.3 -21.81 26.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -83.59 -43.9 15.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.701 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -46.43 -30.5 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.11 -42.94 15.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.49 -46.06 91.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.428 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 1.6 ptp -80.88 -12.53 59.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -85.46 -19.07 31.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 73' ' ' MET . 14.9 ptt85 -89.67 -41.13 12.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 67' ' ' MET . 2.6 ptp85 -58.6 -12.14 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -93.16 -31.68 14.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.471 ' HB2' ' CG1' ' A' ' 86' ' ' VAL . 7.6 mt -107.19 2.07 24.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.641 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -63.19 -51.9 65.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.887 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.74 1.26 4.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.71 28.07 72.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -69.35 -37.31 77.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.552 ' O ' HD11 ' A' ' 84' ' ' ILE . 4.4 mp -104.72 136.43 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 78' ' ' GLN . 23.0 mm-40 -116.61 169.33 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.584 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 92.5 mt -121.17 118.12 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.7 m-90 59.67 31.61 20.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.87 4.93 83.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -104.51 135.75 45.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.751 0.31 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.403 ' HA ' ' OE1' ' A' ' 78' ' ' GLN . 19.0 tt0 -59.84 139.3 57.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.552 HD11 ' O ' ' A' ' 77' ' ' ILE . 2.7 pp -136.35 153.52 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.96 139.94 36.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 13' ' ' ILE . 19.3 m -103.7 138.45 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.416 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . 11.3 m-20 -139.22 157.58 45.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -73.61 114.17 11.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.881 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -133.73 146.38 50.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 11' ' ' LEU . 18.8 mt -105.37 140.14 38.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.437 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 47.0 t80 -88.14 102.02 14.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.553 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 8.6 mm -100.92 111.2 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.32 150.94 17.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.95 28.29 8.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.638 HD11 ' C ' ' A' ' 54' ' ' PHE . 17.1 pt -106.41 153.44 40.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.669 0.747 . . . . 0.0 111.115 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 159.67 52.51 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.237 . . . . 0.0 112.331 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 20' ' ' LYS . 2.8 mptt -88.44 -55.63 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.3 ptp -38.13 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' LYS . 7.2 mptt -74.93 154.84 37.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -118.52 167.5 11.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.577 ' HA ' HD12 ' A' ' 25' ' ' ILE . 8.2 ptm180 -54.92 -47.04 74.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -47.55 -34.16 7.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -83.53 -43.75 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 22' ' ' ARG . 20.7 mt -58.91 -54.59 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.588 ' HA ' HG21 ' A' ' 39' ' ' VAL . 5.1 tp -44.36 -55.03 5.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -53.43 -64.0 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.86 ' HB3' HD22 ' A' ' 79' ' ' LEU . 35.5 mm-40 -45.25 -22.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.95 HG22 HG11 ' A' ' 36' ' ' VAL . 13.4 mm -90.23 -39.01 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.31 -14.22 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -104.32 -51.08 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 29' ' ' ILE . 18.7 m -65.76 -26.68 39.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.76 HG23 HG23 ' A' ' 32' ' ' VAL . 71.9 p -143.64 108.47 4.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -82.61 134.39 35.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.17 15.03 7.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.95 HG11 HG22 ' A' ' 29' ' ' ILE . 1.1 m -83.75 157.92 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.148 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -117.66 -48.3 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -164.16 158.53 19.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 56' ' ' PHE . 75.9 t -116.98 135.78 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.893 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.638 ' C ' HD11 ' A' ' 16' ' ' ILE . 1.3 t80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.865 0.365 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.638 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -157.53 152.7 25.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.647 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.6 m-85 -105.13 147.83 27.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.591 HG11 HG21 ' A' ' 29' ' ' ILE . 11.1 t -130.51 104.6 10.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -86.56 120.15 27.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.852 ' CE2' HG12 ' A' ' 36' ' ' VAL . 66.2 m-85 -104.2 135.04 46.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.682 ' HB3' HD13 ' A' ' 37' ' ' LEU . 16.2 pt-20 -60.81 -42.48 97.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.688 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 3.2 m -91.91 124.05 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -46.55 -33.66 4.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' ALA . 3.1 tpt180 -84.21 -40.77 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.688 ' HB2' ' HB2' ' A' ' 61' ' ' SER . . . -38.16 -26.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -91.87 -41.19 10.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -65.91 -42.85 89.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -82.27 -11.76 58.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -87.72 -27.31 22.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 73' ' ' MET . 12.0 ptt85 -78.13 -39.93 39.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -54.49 -14.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -91.6 -41.23 10.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.44 ' HB2' HG13 ' A' ' 86' ' ' VAL . 4.0 mt -98.15 5.65 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.642 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -64.68 -52.0 54.53 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.557 0.694 . . . . 0.0 110.875 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.9 Cg_endo -69.74 -9.6 26.5 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.04 31.55 61.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -73.41 -35.84 65.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.438 HD13 HD23 ' A' ' 72' ' ' LEU . 5.2 mp -96.52 138.54 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -120.8 146.65 46.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.86 HD22 ' HB3' ' A' ' 28' ' ' GLU . 31.8 mt -107.8 119.2 38.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.447 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.3 m-90 60.94 32.77 19.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.4 -1.28 71.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.58 136.43 43.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.718 0.294 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -70.15 146.68 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.779 HG21 HD12 ' A' ' 79' ' ' LEU . 2.2 pp -135.97 155.45 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.1 136.32 43.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.516 HG12 ' CD1' ' A' ' 13' ' ' ILE . 15.5 m -101.38 132.27 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.41 149.03 49.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 89' ' ' ALA . 6.1 m95 -63.68 104.77 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -133.04 135.21 45.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.531 HD12 ' CE1' ' A' ' 59' ' ' TYR . 26.3 mt -96.43 140.86 30.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.482 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 47.8 t80 -87.59 101.94 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 15.6 mm -99.31 104.88 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.71 157.97 14.59 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.27 45.33 5.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -121.74 151.59 57.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 111.085 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 128.57 16.19 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.653 2.235 . . . . 0.0 112.334 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 19' ' ' MET . 36.5 mttt -55.75 -54.39 45.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 18' ' ' LYS . 8.4 ptp -34.14 -42.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HE3' ' CD1' ' A' ' 80' ' ' TRP . 6.6 mptt -62.72 147.14 50.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -118.48 168.37 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -49.88 -40.05 41.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -53.42 -49.07 68.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -73.3 -49.37 27.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.5 mt -51.08 -57.11 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HA ' HG21 ' A' ' 39' ' ' VAL . 4.3 tp -45.21 -58.85 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.02 -39.77 82.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.554 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -67.46 -20.0 65.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.849 HG22 HG11 ' A' ' 36' ' ' VAL . 5.2 mm -95.67 -35.75 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.38 -7.28 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -100.97 -48.32 4.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.621 HG23 HG23 ' A' ' 33' ' ' THR . 25.4 m -72.27 -28.86 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.632 ' HB ' ' HB1' ' A' ' 68' ' ' ALA . 40.3 p -137.97 111.34 8.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -85.8 125.99 33.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.1 9.36 3.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.979 HG12 ' CE2' ' A' ' 59' ' ' TYR . 2.6 m -80.47 158.59 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 111.121 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.558 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.3 tp -118.03 -47.97 2.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -163.88 160.5 22.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.726 HG13 ' O ' ' A' ' 56' ' ' PHE . 90.0 t -118.13 137.32 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 179.904 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.868 0.366 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.605 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -153.85 155.92 36.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.726 ' O ' HG13 ' A' ' 39' ' ' VAL . 5.9 m-85 -109.83 146.12 35.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.707 HG11 HG21 ' A' ' 29' ' ' ILE . 4.2 t -129.01 112.05 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -87.87 115.04 25.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.979 ' CE2' HG12 ' A' ' 36' ' ' VAL . 71.6 m-85 -97.06 134.36 40.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.558 ' HB3' HD13 ' A' ' 37' ' ' LEU . 11.0 pt-20 -59.98 -49.42 77.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -91.49 121.18 32.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -46.1 -35.01 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -76.69 -42.75 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.707 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -42.64 -33.57 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.465 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -84.66 -42.16 15.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.13 91.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -82.05 -29.29 31.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -64.0 -33.83 76.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 73' ' ' MET . 20.4 ptt85 -73.88 -40.26 63.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.42 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 44.8 ttt-85 -56.65 -14.04 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -92.19 -30.53 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.431 HD21 ' HB ' ' A' ' 32' ' ' VAL . 15.2 mt -107.6 -0.27 22.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.646 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -61.08 -51.85 76.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.565 0.698 . . . . 0.0 110.925 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.9 Cg_endo -69.77 2.04 3.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.66 25.7 65.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.8 mtm105 -67.36 -33.03 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.515 HG21 HG11 ' A' ' 32' ' ' VAL . 4.0 mp -101.35 148.33 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -130.97 155.2 47.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.857 HD12 HG21 ' A' ' 84' ' ' ILE . 75.1 mt -112.92 122.87 48.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.1 m-90 53.71 40.05 30.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.97 6.43 56.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -105.32 136.64 44.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.723 0.297 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.28 133.32 49.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.857 HG21 HD12 ' A' ' 79' ' ' LEU . 2.8 pp -127.51 154.96 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.15 142.32 35.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 13' ' ' ILE . 15.9 m -106.01 133.52 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.427 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . 8.5 m-20 -133.69 156.74 47.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -75.44 110.55 9.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.765 0.317 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -141.39 142.57 33.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.534 HD12 ' CE1' ' A' ' 59' ' ' TYR . 41.2 mt -99.84 137.6 38.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -84.87 101.56 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.743 ' CD1' HG12 ' A' ' 86' ' ' VAL . 21.9 mm -100.87 108.32 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.81 150.53 18.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.22 52.06 2.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.437 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.5 pt -127.28 151.56 74.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 111.115 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 129.45 17.67 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -57.79 -45.61 85.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.435 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 9.9 ptp -46.67 -25.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.536 ' HG2' ' CD2' ' A' ' 80' ' ' TRP . 5.8 mptt -84.39 116.93 23.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.489 ' HE3' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -83.12 173.64 11.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.533 ' HA ' HD12 ' A' ' 25' ' ' ILE . 12.2 ptt85 -57.62 -39.59 77.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.49 -40.3 65.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.24 -46.84 21.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 22' ' ' ARG . 29.1 mt -54.11 -56.91 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.626 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.4 tp -44.22 -65.93 0.45 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -50.52 -46.69 57.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.554 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -61.8 -18.25 59.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.751 HG21 HG11 ' A' ' 57' ' ' VAL . 9.3 mm -96.31 -36.9 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.42 -7.77 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -101.49 -48.78 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.668 HG23 HG23 ' A' ' 33' ' ' THR . 27.3 m -71.28 -30.62 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.668 HG23 HG23 ' A' ' 32' ' ' VAL . 42.2 p -137.55 109.69 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.6 134.84 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.65 10.17 7.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.822 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.6 m -78.4 161.53 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 111.147 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.666 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -121.95 -48.38 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -164.32 146.75 8.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.626 HG21 ' HA ' ' A' ' 26' ' ' LEU . 53.0 t -110.16 131.27 61.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.914 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.615 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.94 0.4 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.615 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -151.61 157.71 42.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.452 ' O ' HG13 ' A' ' 39' ' ' VAL . 5.0 m-85 -111.58 135.8 51.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.751 HG11 HG21 ' A' ' 29' ' ' ILE . 6.1 t -120.87 108.93 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -85.22 125.75 33.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.822 ' CE2' HG12 ' A' ' 36' ' ' VAL . 69.8 m-85 -108.6 133.52 52.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.666 ' HB3' HD13 ' A' ' 37' ' ' LEU . 16.8 pt-20 -61.67 -44.68 96.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.441 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 3.1 m -93.32 124.68 37.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -49.84 -32.52 14.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -80.37 -41.78 24.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.709 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -42.32 -30.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.468 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -85.6 -45.26 11.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.82 88.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -82.29 -10.89 58.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -86.26 -19.41 29.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 73' ' ' MET . 3.5 ptm180 -88.38 -44.18 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -53.87 -15.54 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -87.44 -38.7 15.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.421 HD21 ' HB ' ' A' ' 32' ' ' VAL . 5.6 mt -103.78 1.83 32.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.635 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -61.1 -52.12 73.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.822 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.8 Cg_endo -69.76 3.0 3.02 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.371 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.69 33.44 85.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.5 mtt-85 -72.7 -48.46 38.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mp -92.29 142.35 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -122.06 157.07 32.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.598 HD12 HG21 ' A' ' 84' ' ' ILE . 97.6 mt -109.07 116.99 33.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.592 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.5 m-90 58.16 41.06 24.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.71 8.71 60.92 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -108.58 137.13 47.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 0.0 110.851 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.68 139.46 57.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.598 HG21 HD12 ' A' ' 79' ' ' LEU . 2.6 pp -134.42 153.39 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.53 146.52 42.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.743 HG12 ' CD1' ' A' ' 13' ' ' ILE . 3.5 m -110.49 138.24 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -137.39 151.5 48.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.433 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 17.8 m95 -70.58 115.65 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.487 ' SG ' ' HB3' ' A' ' 65' ' ' ALA . 1.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -140.77 133.26 28.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.461 ' CD2' ' HB1' ' A' ' 65' ' ' ALA . 32.5 mt -94.64 133.99 37.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.582 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 48.1 t80 -84.97 102.37 13.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.561 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 6.3 mm -102.16 115.67 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.8 143.38 14.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.462 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.93 36.94 2.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.526 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.539 HD11 ' C ' ' A' ' 54' ' ' PHE . 24.7 pt -113.8 153.75 45.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.736 . . . . 0.0 111.129 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 144.39 53.87 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 19' ' ' MET . 33.6 mttt -71.79 -54.01 11.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 18' ' ' LYS . 14.8 ptp -34.94 -37.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -62.48 176.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -142.89 167.68 21.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.663 ' HA ' HD12 ' A' ' 25' ' ' ILE . 29.4 ptt180 -56.68 -46.15 81.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -50.81 -39.98 54.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.88 -51.34 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 22' ' ' ARG . 16.9 mt -48.12 -56.31 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.442 ' HA ' HG21 ' A' ' 39' ' ' VAL . 4.4 tp -42.39 -63.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -47.21 -55.23 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.722 ' O ' HG13 ' A' ' 32' ' ' VAL . 25.2 mm-40 -54.03 -22.08 9.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.083 HG22 HG11 ' A' ' 36' ' ' VAL . 21.9 mm -90.13 -40.64 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.81 -13.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -104.48 -49.55 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.951 HG23 HG23 ' A' ' 33' ' ' THR . 6.0 m -65.35 -30.02 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.951 HG23 HG23 ' A' ' 32' ' ' VAL . 62.8 p -141.24 112.23 7.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -84.15 127.54 33.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.42 8.21 6.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 1.083 HG11 HG22 ' A' ' 29' ' ' ILE . 2.1 m -78.31 155.19 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.3 tp -113.46 -49.45 2.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -163.22 161.19 24.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.442 HG21 ' HA ' ' A' ' 26' ' ' LEU . 18.0 t -120.75 142.81 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.5 mp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.647 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.909 0.385 . . . . 0.0 110.818 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.647 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -155.96 158.53 38.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.065 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.26 129.98 55.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.838 HG11 HG21 ' A' ' 29' ' ' ILE . 2.2 t -117.01 104.78 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -83.02 139.79 33.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.88 ' CE2' HG12 ' A' ' 36' ' ' VAL . 84.1 m-85 -124.99 128.99 49.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.586 ' HB3' HD13 ' A' ' 37' ' ' LEU . 14.3 pt-20 -56.57 -48.38 77.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.557 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 44.8 t -90.15 115.27 27.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -42.9 -28.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -84.42 -41.69 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.557 ' HB2' ' HB3' ' A' ' 61' ' ' SER . . . -41.06 -33.42 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.487 ' HB3' ' SG ' ' A' ' 9' ' ' CYS . . . -82.6 -44.61 15.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.66 -36.12 71.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -87.64 -26.08 23.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.594 ' HB1' ' HB ' ' A' ' 33' ' ' THR . . . -71.66 -35.62 70.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -74.93 -37.39 62.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 59.1 ttt180 -60.2 -10.41 4.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -98.57 -33.07 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.523 HD23 HD13 ' A' ' 77' ' ' ILE . 19.0 mt -98.04 -4.87 35.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.65 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -59.01 -51.47 81.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.526 0.679 . . . . 0.0 110.9 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.65 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.4 Cg_endo -69.82 4.07 2.43 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.245 . . . . 0.0 112.348 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.97 22.48 48.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.454 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -64.51 -23.44 67.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.523 HD13 HD23 ' A' ' 72' ' ' LEU . 4.6 mp -109.9 137.67 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -120.18 136.97 54.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 28' ' ' GLU . 85.5 mt -96.35 117.13 30.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.544 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.3 m-90 59.67 37.83 22.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.78 2.58 65.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.47 137.34 46.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.683 0.278 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -73.56 150.62 41.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.551 HG21 HD12 ' A' ' 79' ' ' LEU . 2.0 pp -139.31 163.11 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -133.18 148.32 52.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.085 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.545 HG22 ' HA ' ' A' ' 73' ' ' MET . 31.2 m -114.22 133.14 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.083 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -135.31 156.7 48.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -79.76 95.06 5.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 65' ' ' ALA . 1.8 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -128.13 130.04 47.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.682 HD12 ' CE1' ' A' ' 59' ' ' TYR . 56.9 mt -93.64 136.11 34.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -84.9 101.8 12.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 18.1 mm -100.67 102.46 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.61 147.99 17.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.491 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.13 47.95 2.52 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.531 HD11 ' C ' ' A' ' 54' ' ' PHE . 13.4 pt -126.44 152.81 74.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.593 0.711 . . . . 0.0 111.148 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HD2' ' CZ3' ' A' ' 80' ' ' TRP . 53.6 Cg_endo -69.79 130.38 19.2 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 19' ' ' MET . 56.2 mttt -69.19 -44.39 72.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 18' ' ' LYS . 8.3 ptp -36.25 -38.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 45.8 mmtt -63.31 175.91 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.57 155.53 43.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.676 ' HA ' HD12 ' A' ' 25' ' ' ILE . 13.1 ptm180 -47.33 -37.44 11.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.95 -38.73 92.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -72.74 -43.57 62.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 22' ' ' ARG . 24.4 mt -55.82 -58.61 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.563 ' HA ' HG21 ' A' ' 39' ' ' VAL . 4.2 tp -40.79 -54.14 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.06 -61.25 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.615 ' HB3' HD22 ' A' ' 79' ' ' LEU . 29.2 mm-40 -47.84 -20.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.774 HG22 HG11 ' A' ' 36' ' ' VAL . 6.1 mm -93.61 -39.23 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.62 -12.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -100.37 -52.11 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.976 HG23 HG23 ' A' ' 33' ' ' THR . 5.0 m -65.03 -23.81 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.976 HG23 HG23 ' A' ' 32' ' ' VAL . 52.1 p -145.74 120.47 9.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -93.18 129.15 39.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.11 15.69 4.17 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.889 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.5 m -83.34 155.91 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.537 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -114.21 -49.42 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -162.6 163.98 26.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.563 HG21 ' HA ' ' A' ' 26' ' ' LEU . 13.6 t -120.96 138.16 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.9 mp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.635 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.635 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -156.44 160.96 40.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.404 ' CE1' ' HZ ' ' A' ' 54' ' ' PHE . 5.8 m-85 -115.59 140.83 48.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.773 HG11 HG21 ' A' ' 29' ' ' ILE . 2.6 t -124.39 110.45 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -88.8 114.83 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.889 ' CE2' HG12 ' A' ' 36' ' ' VAL . 57.1 m-85 -95.09 142.99 26.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.537 ' HB3' HD13 ' A' ' 37' ' ' LEU . 15.1 pt-20 -60.46 -50.19 74.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 31.0 t -100.67 126.81 47.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -48.48 -28.51 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.496 ' HD2' ' N ' ' A' ' 64' ' ' ALA . 2.7 tmm_? -74.31 -52.08 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.651 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -44.14 -22.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.525 ' HB3' ' SG ' ' A' ' 9' ' ' CYS . . . -90.56 -42.83 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -60.89 -42.31 97.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -81.19 -25.73 36.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -66.88 -29.82 69.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 73' ' ' MET . 1.8 ptp180 -77.7 -43.69 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -55.77 -13.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -91.67 -32.02 15.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.682 HD12 HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -110.16 4.64 21.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.636 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 4.8 ttm -65.9 -52.15 43.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.574 0.702 . . . . 0.0 110.839 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.5 Cg_endo -69.71 2.09 3.81 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.466 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . 64.51 34.42 89.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -74.82 -34.16 62.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.32 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.487 ' O ' HD11 ' A' ' 84' ' ' ILE . 5.1 mp -111.17 144.33 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 75' ' ' GLY . 29.0 mm-40 -122.38 171.49 9.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.665 HD12 HG21 ' A' ' 84' ' ' ILE . 90.6 mt -121.23 113.9 20.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.577 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.8 m-90 61.27 31.83 19.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.48 0.21 83.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.09 133.3 44.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -60.66 136.31 58.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.665 HG21 HD12 ' A' ' 79' ' ' LEU . 2.6 pp -131.31 153.43 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.16 147.5 47.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.682 HG11 HD12 ' A' ' 72' ' ' LEU . 19.7 m -113.09 127.68 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.47 158.48 39.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.458 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 19.6 m95 -78.35 100.06 6.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.082 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -134.66 146.95 50.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.595 HD12 ' CE1' ' A' ' 59' ' ' TYR . 91.0 mt -104.27 141.28 36.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.57 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 59.7 t80 -84.95 102.15 12.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.59 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 15.6 mm -100.02 110.2 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.4 154.7 16.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.96 26.07 13.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.514 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.445 HD11 ' C ' ' A' ' 54' ' ' PHE . 35.3 pt -98.71 152.79 38.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 111.113 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.473 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.4 Cg_endo -69.79 148.66 65.39 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' MET . 63.0 mttt -71.46 -57.17 4.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.8 ptp -37.72 -33.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -70.52 153.05 43.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -125.11 158.49 33.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.866 ' HA ' HD12 ' A' ' 25' ' ' ILE . 16.6 ptt85 -43.82 -46.96 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -45.84 -52.74 10.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.67 -44.66 77.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.866 HD12 ' HA ' ' A' ' 22' ' ' ARG . 43.9 mt -49.03 -53.02 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 tp -48.01 -63.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -48.62 -43.82 36.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.716 ' HB3' HD22 ' A' ' 79' ' ' LEU . 30.6 mm-40 -66.99 -20.66 65.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.07 HG22 HG11 ' A' ' 36' ' ' VAL . 8.2 mm -89.36 -41.8 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.57 -11.08 1.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -103.72 -48.8 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.948 HG23 HG23 ' A' ' 33' ' ' THR . 10.2 m -70.95 -23.8 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.948 HG23 HG23 ' A' ' 32' ' ' VAL . 44.4 p -145.75 109.5 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -83.36 129.53 35.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.12 4.87 8.29 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.512 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 1.07 HG11 HG22 ' A' ' 29' ' ' ILE . 2.0 m -74.09 154.73 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 60' ' ' GLU . 9.9 tp -114.51 -49.75 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -163.63 157.57 19.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 56' ' ' PHE . 55.6 t -113.79 138.11 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.903 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.664 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -152.1 163.92 38.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.455 ' O ' HG13 ' A' ' 39' ' ' VAL . 6.7 m-85 -116.71 131.94 56.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.831 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.806 HG11 HG21 ' A' ' 29' ' ' ILE . 3.1 t -117.21 109.55 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -87.42 131.12 34.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.716 ' CE2' HG12 ' A' ' 36' ' ' VAL . 58.7 m-85 -114.17 133.02 55.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.648 ' HB3' HD13 ' A' ' 37' ' ' LEU . 13.2 pt-20 -61.7 -48.19 81.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.48 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 2.3 t -88.37 117.35 27.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -38.43 -37.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' ALA . 3.5 tpt180 -78.34 -44.51 24.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.616 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -36.6 -32.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.498 ' O ' HD11 ' A' ' 11' ' ' LEU . . . -83.94 -41.85 16.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -66.25 -51.11 60.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.1 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.6 ptp -70.59 -12.43 61.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -86.37 -36.56 19.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.576 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 0.9 OUTLIER -73.77 -37.38 65.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 13.9 ttm180 -61.24 -8.98 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -96.2 -31.63 12.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.626 HD12 HG11 ' A' ' 86' ' ' VAL . 1.2 mt -107.56 -3.58 19.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.633 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -53.77 -52.17 69.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.86 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.8 Cg_endo -69.73 -6.26 18.16 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.365 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.81 29.07 67.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -70.45 -27.75 64.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.308 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.53 HD13 HD23 ' A' ' 72' ' ' LEU . 5.0 mp -110.21 139.8 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -120.82 156.79 31.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.716 HD22 ' HB3' ' A' ' 28' ' ' GLU . 95.5 mt -110.84 117.37 33.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.54 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.6 m-90 57.99 35.08 24.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.25 3.74 77.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 11.8 m170 -103.44 134.44 46.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.711 0.291 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -65.29 134.16 53.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.636 HG21 HD12 ' A' ' 79' ' ' LEU . 2.8 pp -129.6 154.39 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.62 148.97 49.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.626 HG11 HD12 ' A' ' 72' ' ' LEU . 14.7 m -117.06 126.19 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -127.0 153.99 45.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.576 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 10.7 m95 -70.04 102.49 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.048 179.891 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 9' ' ' CYS . 1.8 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.724 ' HD3' HD12 ' A' ' 40' ' ' ILE . 35.9 mtm180 -129.76 150.27 51.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.42 HD12 ' CE1' ' A' ' 59' ' ' TYR . 11.8 mt -105.0 137.45 42.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.517 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 60.3 t80 -84.75 102.2 12.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 8.6 mm -103.06 114.48 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.4 145.04 15.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.1 17.27 16.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.0 pt -93.18 151.12 40.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 111.154 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.9 Cg_endo -69.73 133.08 24.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -62.27 -50.51 71.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.48 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 19.8 ptp -37.98 -37.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' CD ' ' HG3' ' A' ' 19' ' ' MET . 6.4 mptt -65.75 155.88 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -118.78 164.36 15.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.698 ' HA ' HD12 ' A' ' 25' ' ' ILE . 20.8 ptt180 -53.16 -43.76 67.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.1 -37.79 62.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.67 -50.63 12.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 22' ' ' ARG . 19.8 mt -47.24 -55.19 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -44.37 -56.27 4.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -58.65 -50.98 71.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.724 ' CG ' HD22 ' A' ' 79' ' ' LEU . 4.7 tp10 -56.61 -21.28 25.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.943 HG21 HG11 ' A' ' 57' ' ' VAL . 10.3 mm -92.5 -40.86 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.37 -11.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -103.37 -48.28 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.763 HG22 ' HA ' ' A' ' 29' ' ' ILE . 27.0 m -68.86 -29.42 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.699 HG23 HG23 ' A' ' 32' ' ' VAL . 69.2 p -140.22 112.75 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -85.22 130.65 34.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.62 18.05 4.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.869 HG11 HG22 ' A' ' 29' ' ' ILE . 1.5 m -87.48 158.38 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.665 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.7 tp -115.64 -48.25 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -163.56 170.32 17.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.76 139.78 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.724 HD12 ' HD3' ' A' ' 10' ' ' ARG . 17.5 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.621 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.621 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -154.48 157.59 38.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.404 ' CE1' ' HZ ' ' A' ' 54' ' ' PHE . 7.1 m-85 -110.33 140.67 44.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.943 HG11 HG21 ' A' ' 29' ' ' ILE . 2.3 t -126.11 107.1 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.27 134.35 33.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.868 ' CE2' HG12 ' A' ' 36' ' ' VAL . 51.7 m-85 -114.8 137.41 51.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.665 ' HB3' HD13 ' A' ' 37' ' ' LEU . 16.6 pt-20 -62.77 -49.08 76.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.588 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 58.6 m -86.77 119.93 27.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -45.79 -34.01 3.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 63' ' ' ARG . 0.4 OUTLIER -79.53 -40.71 28.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.588 ' HB2' ' HB2' ' A' ' 61' ' ' SER . . . -43.6 -41.14 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.576 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . . . -75.92 -30.63 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.81 -37.43 67.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -86.54 -30.96 21.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' A' ' 33' ' ' THR . . . -59.57 -41.32 89.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' MET . 3.0 ppt_? -69.89 -37.46 76.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -60.48 -9.28 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -98.31 -29.91 12.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.569 HD11 ' CG2' ' A' ' 33' ' ' THR . 4.6 mt -108.09 -2.62 19.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.662 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -55.52 -51.16 82.35 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 110.91 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.662 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.76 3.65 2.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.9 23.04 50.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.496 ' NE ' ' HB2' ' A' ' 74' ' ' PRO . 3.0 mpt_? -65.79 -38.64 89.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.482 HD13 HD23 ' A' ' 72' ' ' LEU . 4.7 mp -92.46 134.81 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -115.5 146.91 41.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.893 HD12 HG21 ' A' ' 84' ' ' ILE . 95.8 mt -103.42 112.73 25.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 2.7 m-90 58.76 30.93 20.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.94 2.79 90.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.493 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 11.8 m170 -105.35 129.13 53.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -63.79 142.27 58.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.893 HG21 HD12 ' A' ' 79' ' ' LEU . 2.4 pp -135.19 152.95 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.86 138.15 46.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.087 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.525 HG12 ' CD1' ' A' ' 13' ' ' ILE . 15.6 m -106.75 130.37 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -134.41 155.3 50.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -72.02 105.82 4.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.058 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -49.3 155.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -80.27 151.42 29.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.69 -70.56 0.14 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.454 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 t 39.59 42.63 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -61.85 117.99 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.63 -124.69 0.77 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -52.99 172.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 m -125.62 128.76 48.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -131.97 137.77 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.797 HD12 ' CE1' ' A' ' 59' ' ' TYR . 66.3 mt -97.37 136.72 37.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.517 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 60.1 t80 -85.23 102.17 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.59 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 22.1 mm -101.36 107.17 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.86 146.4 18.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.44 53.63 0.99 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.447 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.5 pt -137.8 150.69 68.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.657 0.741 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.466 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 54.2 Cg_endo -69.78 139.89 41.24 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -67.5 -29.35 68.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.6 ptp -47.58 -21.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.501 ' HE3' ' CG ' ' A' ' 80' ' ' TRP . 26.3 mmtt -93.01 154.87 17.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLU . 4.9 mtmm -122.67 153.09 39.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.51 ' HA ' HD12 ' A' ' 25' ' ' ILE . 16.7 ptt85 -34.73 -33.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' LYS . 12.4 mt-10 -61.19 -48.89 79.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 21' ' ' LYS . 29.2 mm-40 -70.11 -49.9 46.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.689 HD13 ' HB2' ' A' ' 55' ' ' ALA . 34.1 mt -46.95 -56.03 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.645 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.6 tp -43.51 -54.91 4.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.78 -63.68 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.76 ' HB3' HD22 ' A' ' 79' ' ' LEU . 1.2 mp0 -46.63 -21.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.898 HG21 HG11 ' A' ' 57' ' ' VAL . 10.1 mm -91.6 -39.23 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.23 -12.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -103.07 -49.47 3.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.006 HG23 HG23 ' A' ' 33' ' ' THR . 5.8 m -65.61 -29.55 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 1.006 HG23 HG23 ' A' ' 32' ' ' VAL . 30.4 p -140.22 121.32 14.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -91.79 127.67 37.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.65 14.75 4.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.912 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.7 m -84.8 132.45 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.747 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.6 tp -90.16 -50.88 5.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -162.26 162.59 28.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.645 HG21 ' HA ' ' A' ' 26' ' ' LEU . 25.6 t -116.51 138.84 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp -118.47 146.46 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 p -122.21 135.2 63.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -100.54 111.38 23.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.765 ' HB1' ' O ' ' A' ' 46' ' ' ALA . . . -172.23 157.77 4.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 46' ' ' ALA . 2.3 m -76.59 94.68 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 39.44 25.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.765 ' O ' ' HB1' ' A' ' 43' ' ' ALA . . . -173.78 124.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.54 -39.78 85.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -95.79 45.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.622 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 15.9 ttm -102.87 -51.22 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -102.08 10.48 39.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 60.48 45.42 10.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -86.12 131.46 34.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.08 66.16 0.29 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.624 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -161.02 168.21 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.689 ' HB2' HD13 ' A' ' 25' ' ' ILE . . . -155.83 156.49 34.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.503 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.5 m-85 -108.06 137.44 46.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.898 HG11 HG21 ' A' ' 29' ' ' ILE . 2.5 t -122.37 110.89 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -87.59 129.49 35.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.912 ' CE2' HG12 ' A' ' 36' ' ' VAL . 77.4 m-85 -111.85 127.27 55.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.747 ' HB3' HD13 ' A' ' 37' ' ' LEU . 13.6 pt-20 -53.06 -49.83 65.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.572 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 9.6 t -88.82 122.63 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -46.22 -33.06 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 65' ' ' ALA . 9.3 tpp85 -81.45 -42.67 20.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.65 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -39.61 -27.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.605 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -91.68 -39.77 11.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -62.89 -38.72 92.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -88.97 -12.08 42.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -84.27 -22.37 30.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.066 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 73' ' ' MET . 18.8 ptt85 -82.92 -37.56 24.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -62.36 -7.91 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -94.47 -30.13 14.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.441 HD21 ' HB ' ' A' ' 32' ' ' VAL . 6.6 mt -109.51 -6.42 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.639 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -54.1 -51.98 72.56 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.927 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.76 -2.27 9.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.43 28.31 73.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -71.38 -30.18 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.5 ' O ' HD11 ' A' ' 84' ' ' ILE . 4.7 mp -107.76 129.69 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -113.41 153.86 27.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.76 HD22 ' HB3' ' A' ' 28' ' ' GLU . 96.8 mt -107.44 116.28 31.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.8 m-90 59.67 29.12 18.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.21 1.36 90.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.458 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -103.06 134.58 46.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.81 141.84 58.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.654 HG21 HD12 ' A' ' 79' ' ' LEU . 2.4 pp -133.73 154.12 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.89 144.86 50.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.509 HG12 ' CD1' ' A' ' 13' ' ' ILE . 20.7 m -112.15 127.86 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -130.53 155.09 47.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -72.73 107.44 5.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.3 -70.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 90' ' ' GLU . 2.0 pm0 -51.31 120.86 15.47 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.651 0.738 . . . . 0.0 110.921 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -49.06 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.35 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -155.51 106.65 2.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.741 ' H ' HD12 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -88.59 -176.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.128 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.724 ' H ' HG22 ' A' ' 93' ' ' ILE . 19.4 t0 -93.15 31.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.624 HG13 ' HB ' ' A' ' 93' ' ' ILE . 21.1 m -64.43 -42.66 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.484 ' N ' HG23 ' A' ' 95' ' ' VAL . 5.8 m-20 -41.47 -45.71 3.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -85.72 -66.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -114.54 106.91 14.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.8 p -120.48 -20.55 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 47.4 mtm -102.11 174.03 6.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 103' ' ' VAL . 23.0 mt-10 41.01 49.26 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 73.0 p -55.1 117.31 3.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 101' ' ' GLU . 83.9 t -123.15 141.59 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.4 t -116.55 61.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.33 85.88 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 107' ' ' SER . 54.3 Cg_endo -69.75 2.75 3.24 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.724 2.283 . . . . 0.0 112.344 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 106' ' ' PRO . 32.9 t -35.5 -55.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.818 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.9 p -122.0 113.41 19.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.519 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 3' ' ' SER . 35.3 t -92.32 -57.76 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' SER . 24.6 p -35.84 148.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.79 169.42 30.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 m -85.75 145.24 27.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -89.25 104.94 17.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.88 74.21 0.37 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -158.12 119.36 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.19 117.15 29.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -134.49 138.42 44.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.458 HD11 ' HB3' ' A' ' 68' ' ' ALA . 50.8 mt -94.54 138.69 32.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.653 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 58.2 t80 -85.56 102.67 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.586 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 23.1 mm -97.8 106.16 18.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -116.41 147.74 18.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.18 31.92 6.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.6 pt -105.52 151.37 39.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.646 0.736 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.57 17.83 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 19' ' ' MET . 38.3 mttt -58.44 -53.9 53.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.456 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 24.0 ptp -35.87 -40.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' CD ' ' HG3' ' A' ' 19' ' ' MET . 7.2 mptt -64.46 151.88 43.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.56 -179.07 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.458 ' HA ' HD12 ' A' ' 25' ' ' ILE . 24.7 ptt180 -68.78 -46.39 68.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -51.59 -37.46 49.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -74.99 -49.61 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 22' ' ' ARG . 18.0 mt -54.83 -45.1 74.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.605 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.9 tp -54.0 -56.14 20.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -60.93 -40.89 94.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.536 ' HB3' HD22 ' A' ' 79' ' ' LEU . 19.1 mm-40 -66.74 -17.9 65.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.723 HG22 HG11 ' A' ' 36' ' ' VAL . 9.6 mm -97.02 -38.42 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.28 -10.71 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -100.16 -47.54 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.666 HG23 HG23 ' A' ' 33' ' ' THR . 30.3 m -71.31 -26.85 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.666 HG23 HG23 ' A' ' 32' ' ' VAL . 41.0 p -142.62 112.36 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -86.21 134.12 33.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' HA3' ' HB1' ' A' ' 64' ' ' ALA . . . 121.44 7.41 8.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.915 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.5 m -77.05 159.41 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 111.169 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.75 HD13 ' HB3' ' A' ' 60' ' ' GLU . 9.9 tp -120.62 -49.16 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -161.25 147.91 14.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 56' ' ' PHE . 70.1 t -111.35 133.92 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.2 mp -108.03 143.34 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 41' ' ' VAL . 13.5 p -114.61 123.53 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -100.77 129.75 46.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 44' ' ' SER . . . -171.66 165.96 6.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.104 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' ALA . 35.2 t -34.69 -40.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 46' ' ' ALA . . . -134.13 177.41 7.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.076 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . -34.26 -50.71 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -175.0 118.6 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -138.67 155.63 48.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -57.41 -12.76 2.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -96.43 22.82 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -38.55 155.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -63.68 -60.52 3.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.67 33.48 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.653 ' CE2' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -159.96 168.74 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.642 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -155.02 153.66 31.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.658 ' O ' HG13 ' A' ' 39' ' ' VAL . 6.5 m-85 -107.28 147.84 29.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.72 HG11 HG21 ' A' ' 29' ' ' ILE . 8.0 t -130.31 107.16 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -83.89 121.6 27.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.915 ' CE2' HG12 ' A' ' 36' ' ' VAL . 83.6 m-85 -104.93 126.86 52.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.75 ' HB3' HD13 ' A' ' 37' ' ' LEU . 15.7 pt-20 -56.09 -47.02 78.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.568 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 9.3 t -90.31 119.6 30.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.495 ' NE2' HG11 ' A' ' 95' ' ' VAL . 5.3 t-80 -44.33 -35.17 2.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -79.04 -41.1 29.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.718 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -42.75 -26.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . . . -91.81 -42.9 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.421 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -59.22 -48.46 81.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.3 ptp -79.14 -14.38 59.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -82.62 -23.58 34.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.569 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 2.9 ptm180 -83.86 -39.33 20.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -63.3 -8.09 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -95.23 -32.52 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.611 HD23 HD13 ' A' ' 77' ' ' ILE . 13.7 mt -106.01 -3.1 22.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.648 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -56.34 -51.83 77.87 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.568 0.699 . . . . 0.0 110.882 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.0 Cg_endo -69.79 3.31 2.86 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.672 2.248 . . . . 0.0 112.364 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.43 27.7 61.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.0 mmt-85 -68.23 -33.48 74.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.611 HD13 HD23 ' A' ' 72' ' ' LEU . 4.6 mp -99.5 135.21 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -118.79 145.03 45.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.809 HD12 HG21 ' A' ' 84' ' ' ILE . 39.8 mt -103.44 121.31 42.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.569 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 3.5 m-90 55.38 35.37 24.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.82 4.79 77.75 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -107.14 136.01 47.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -69.29 148.49 49.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.809 HG21 HD12 ' A' ' 79' ' ' LEU . 2.5 pp -142.3 152.92 18.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.86 145.22 51.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.547 HG12 HD13 ' A' ' 13' ' ' ILE . 18.9 m -113.21 127.18 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -128.68 154.28 46.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.569 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 18.0 m95 -69.88 107.03 3.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.45 -57.79 6.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -106.65 135.9 19.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -51.01 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -150.36 114.36 5.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.731 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -109.78 -176.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.177 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.731 ' H ' HG22 ' A' ' 93' ' ' ILE . 16.4 t0 -95.42 37.28 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.537 HG13 ' HB ' ' A' ' 93' ' ' ILE . 20.5 m -65.54 -29.0 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -60.82 -39.62 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -94.39 -53.89 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -129.19 110.12 11.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.3 p -117.23 -24.62 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -102.22 171.09 7.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -113.1 146.99 38.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.1 t -125.44 167.87 14.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.6 t -118.22 96.97 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 m -163.23 164.88 24.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -126.9 65.84 0.56 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -25.7 28.24 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 m -124.78 163.68 21.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.9 p -96.78 125.41 41.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -118.12 177.94 4.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -113.29 134.39 54.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.69 76.05 0.28 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -147.17 172.44 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.944 0.402 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -57.11 -48.94 77.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.75 -156.88 24.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -133.5 97.06 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.25 118.09 35.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.7 mtm-85 -138.15 147.34 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.401 HD12 ' CE1' ' A' ' 59' ' ' TYR . 19.8 mt -107.93 136.57 47.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.458 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 42.9 t80 -85.94 102.55 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CD1' HG12 ' A' ' 86' ' ' VAL . 9.9 mm -101.36 117.97 47.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.06 148.56 17.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.65 -5.22 47.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.461 HG22 HG21 ' A' ' 84' ' ' ILE . 13.7 pt -72.5 147.38 89.73 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.637 0.732 . . . . 0.0 111.115 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 54.0 Cg_endo -69.72 121.4 8.1 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.391 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -57.34 -34.28 68.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.0 ptp -43.57 -24.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.458 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 38.6 mmtt -84.57 178.5 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -133.88 175.29 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -61.65 -33.92 74.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.34 -40.31 89.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -73.99 -53.84 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.1 mt -44.31 -55.87 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.489 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.9 tp -45.0 -56.98 4.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -49.37 -53.05 24.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.701 ' HB3' HD22 ' A' ' 79' ' ' LEU . 13.2 mm-40 -60.6 -18.63 54.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.068 HG22 HG11 ' A' ' 36' ' ' VAL . 10.8 mm -89.19 -39.66 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.02 -12.48 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -103.84 -48.92 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.019 HG23 HG23 ' A' ' 33' ' ' THR . 4.8 m -66.65 -30.88 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 1.019 HG23 HG23 ' A' ' 32' ' ' VAL . 65.9 p -134.22 117.49 16.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -89.46 113.78 25.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.53 13.38 2.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 1.068 HG11 HG22 ' A' ' 29' ' ' ILE . 1.3 m -80.81 147.6 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.689 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.2 tp -102.55 -50.08 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.435 ' HA ' HD13 ' A' ' 26' ' ' LEU . 5.5 m-20 -162.69 174.33 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 56' ' ' PHE . 24.7 t -128.31 141.14 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp -119.32 149.2 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 41' ' ' VAL . 11.1 p -140.35 111.73 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.515 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 1.3 p90 -156.08 161.61 40.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.468 ' HB1' ' HD3' ' A' ' 52' ' ' ARG . . . -174.1 -175.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.065 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 43' ' ' ALA . 3.0 m -34.55 -40.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.07 174.53 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.05 174.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -78.86 47.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -99.08 176.88 5.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 13.7 ptm -53.74 -16.74 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -87.92 14.44 8.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -93.32 131.05 38.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.468 ' HD3' ' HB1' ' A' ' 43' ' ' ALA . 0.7 OUTLIER -41.46 150.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.15 71.5 1.73 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -152.04 164.69 36.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.359 . . . . 0.0 110.865 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.57 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -155.0 152.64 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.49 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.2 m-85 -102.2 140.58 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.654 ' CG1' HG21 ' A' ' 29' ' ' ILE . 2.3 t -124.58 104.75 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -86.33 129.14 34.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.898 ' CE2' HG12 ' A' ' 36' ' ' VAL . 84.1 m-85 -114.04 134.38 54.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.689 ' HB3' HD13 ' A' ' 37' ' ' LEU . 11.3 pt-20 -59.37 -49.24 78.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.2 t -90.8 122.26 33.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -48.7 -24.97 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 66' ' ' ALA . 23.9 tpp180 -85.65 -44.05 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -39.74 -34.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.401 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . . . -83.57 -38.49 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.064 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.468 ' HA ' ' CH2' ' A' ' 88' ' ' TRP . . . -61.48 -42.82 99.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.08 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -83.66 -12.95 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -83.96 -42.34 16.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.635 ' O ' HG21 ' A' ' 86' ' ' VAL . 8.0 ppt_? -65.19 -36.43 84.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.481 ' N ' ' HD2' ' A' ' 69' ' ' ARG . 24.0 ptt85 -70.9 -8.43 52.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -94.34 -31.04 14.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.792 HD23 HD13 ' A' ' 77' ' ' ILE . 6.4 mt -107.17 3.4 25.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.635 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -63.24 -51.91 65.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.565 0.697 . . . . 0.0 110.9 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.8 Cg_endo -69.73 -3.73 12.58 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.71 25.5 74.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -65.98 -26.72 67.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.792 HD13 HD23 ' A' ' 72' ' ' LEU . 4.8 mp -110.79 141.24 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -123.82 143.27 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 28' ' ' GLU . 96.5 mt -101.39 118.09 36.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.577 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.3 m-90 60.03 35.89 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.62 1.32 65.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.41 139.05 42.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.24 153.88 42.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.532 HG21 HD12 ' A' ' 79' ' ' LEU . 2.2 pp -143.98 160.86 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.95 149.28 50.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.635 HG21 ' O ' ' A' ' 69' ' ' ARG . 20.7 m -122.48 123.24 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -129.17 149.63 50.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.468 ' CH2' ' HA ' ' A' ' 66' ' ' ALA . 17.0 m95 -64.74 109.41 2.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.6 -55.59 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.68 141.86 60.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.24 . . . . 0.0 112.325 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -162.34 109.59 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.731 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -105.51 -177.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.731 ' H ' HG22 ' A' ' 93' ' ' ILE . 1.1 m-20 -91.59 36.75 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.664 HG13 ' HB ' ' A' ' 93' ' ' ILE . 10.6 m -71.73 -31.57 42.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -62.09 -48.45 80.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -81.23 -61.65 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -129.07 105.95 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 100' ' ' MET . 14.9 p -92.4 -39.41 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.415 ' N ' HG13 ' A' ' 99' ' ' VAL . 27.2 mtt -71.77 164.12 26.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -102.79 141.66 35.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 71.4 p -128.36 152.45 48.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 103' ' ' VAL . 6.6 p -126.71 79.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.4 p -45.48 -57.94 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.82 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.58 83.44 1.2 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 107' ' ' SER . 53.7 Cg_endo -69.77 84.86 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.266 . . . . 0.0 112.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 106' ' ' PRO . 4.1 m -35.56 -54.39 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.9 t -65.11 -62.0 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.549 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 m -59.49 -59.12 5.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -62.86 152.22 36.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.19 -158.62 9.87 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 m -118.77 -62.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -90.22 95.53 10.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.41 112.57 1.11 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -43.36 163.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 62' ' ' HIS . 4.3 m -104.22 118.84 37.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 mtt85 -131.52 137.12 48.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.462 HD12 ' CE1' ' A' ' 59' ' ' TYR . 18.8 mt -93.9 140.85 29.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.519 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 55.8 t80 -85.99 102.1 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.587 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 12.0 mm -102.16 108.75 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.11 155.54 16.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.64 46.56 4.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.482 HD11 ' C ' ' A' ' 54' ' ' PHE . 45.1 pt -118.71 151.95 50.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.575 0.702 . . . . 0.0 111.139 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.411 ' HD2' ' CZ3' ' A' ' 80' ' ' TRP . 53.3 Cg_endo -69.81 148.68 65.27 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -84.94 -15.76 43.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.3 ptp -83.66 9.65 11.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -114.8 128.38 56.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -87.99 150.7 23.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.744 ' HA ' HD12 ' A' ' 25' ' ' ILE . 10.8 ptt85 -42.76 -45.93 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.17 -38.19 7.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -81.08 -40.41 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 22' ' ' ARG . 53.3 mt -55.42 -47.9 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.557 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.7 tp -51.27 -62.45 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -45.15 -56.71 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.816 ' O ' HG13 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -51.16 -27.01 7.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.001 HG22 HG11 ' A' ' 36' ' ' VAL . 26.5 mm -86.26 -40.76 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.29 -14.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -104.11 -49.24 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.021 HG23 HG23 ' A' ' 33' ' ' THR . 4.2 m -64.5 -30.44 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 1.021 HG23 HG23 ' A' ' 32' ' ' VAL . 51.6 p -141.13 114.22 8.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -85.16 127.69 34.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.25 10.59 6.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 1.001 HG11 HG22 ' A' ' 29' ' ' ILE . 1.6 m -80.17 158.14 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 111.105 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.561 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -115.37 -48.66 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.439 ' HA ' HD13 ' A' ' 26' ' ' LEU . 11.0 t0 -164.36 160.95 21.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.557 HG21 ' HA ' ' A' ' 26' ' ' LEU . 41.7 t -119.41 136.44 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.0 mt -119.67 126.03 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.728 ' O ' HG13 ' A' ' 41' ' ' VAL . 12.6 p -115.48 102.68 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -158.11 158.52 34.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 44' ' ' SER . . . -163.31 177.94 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.101 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' ALA . 95.5 p -36.74 -40.38 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.19 -75.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -172.84 116.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.526 ' HB3' HG22 ' A' ' 41' ' ' VAL . 1.9 p30 37.79 30.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ALA . 12.3 mtpp 41.29 54.56 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -15.45 42.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -89.47 -32.55 17.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 52' ' ' ARG . 2.2 t-20 -102.1 167.62 9.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 51' ' ' ASN . 24.6 ptt180 -33.91 -46.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.74 135.89 5.13 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 5.0 t80 -136.82 162.51 33.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.913 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.527 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -146.77 162.68 38.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.464 ' O ' HG13 ' A' ' 39' ' ' VAL . 5.9 m-85 -116.65 137.98 51.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.867 HG11 HG21 ' A' ' 29' ' ' ILE . 3.1 t -121.61 107.2 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -85.8 122.73 30.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.945 ' CE2' HG12 ' A' ' 36' ' ' VAL . 70.4 m-85 -105.96 142.86 34.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.561 ' HB3' HD13 ' A' ' 37' ' ' LEU . 14.5 pt-20 -65.49 -50.4 65.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.7 t -96.38 124.3 40.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.586 ' CD2' ' SG ' ' A' ' 9' ' ' CYS . 8.9 t-80 -47.2 -31.57 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 tpp85 -73.64 -49.25 26.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.569 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -41.41 -33.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.2 -35.11 18.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.45 80.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -89.82 -28.11 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -64.69 -39.69 94.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.602 ' O ' HG21 ' A' ' 86' ' ' VAL . 5.0 ptm180 -63.78 -52.69 59.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 ttt85 -48.57 -19.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -79.34 -53.59 6.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.765 HD12 HG11 ' A' ' 86' ' ' VAL . 1.2 mt -90.66 7.44 39.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.636 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 6.5 ttm -63.9 -52.13 59.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.832 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.2 Cg_endo -69.8 -4.36 13.89 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.71 26.67 68.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.437 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.4 mmm-85 -67.93 -39.24 83.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.459 HD13 HD23 ' A' ' 72' ' ' LEU . 4.3 mp -100.38 148.37 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -130.07 160.92 32.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.705 HD22 ' HB3' ' A' ' 28' ' ' GLU . 65.2 mt -115.79 119.31 35.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.587 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 3.7 m-90 54.18 45.0 28.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.08 2.75 14.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.6 132.66 47.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.743 0.306 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -64.9 130.82 44.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.438 HG21 HD12 ' A' ' 79' ' ' LEU . 2.8 pp -124.84 158.26 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.12 145.99 42.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.765 HG11 HD12 ' A' ' 72' ' ' LEU . 15.8 m -113.15 131.2 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -141.61 163.18 33.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.433 ' NE1' ' CZ ' ' A' ' 69' ' ' ARG . 19.1 m95 -74.32 135.81 42.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.41 35.65 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.552 ' CB ' HD11 ' A' ' 93' ' ' ILE . 9.5 mt-10 -145.87 138.13 13.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.604 0.716 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.24 . . . . 0.0 112.327 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -160.32 109.89 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.721 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -114.68 -176.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.721 ' H ' HG22 ' A' ' 93' ' ' ILE . 1.1 m-20 -85.66 40.23 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.405 HG13 ' HB ' ' A' ' 93' ' ' ILE . 17.1 m -67.83 -24.48 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.11 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -61.33 -33.26 73.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -108.84 -65.16 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -120.84 113.63 20.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.1 p -94.13 -35.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 38.0 mtm -65.76 161.84 19.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -78.64 114.48 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.8 t -165.58 -179.64 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.3 t -95.93 -56.92 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.4 t -154.61 153.2 30.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.72 84.18 0.38 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 128.7 16.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 t -116.56 96.12 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 80.5 p -87.46 154.79 20.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -127.78 161.88 27.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.356 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.0 m -131.35 -57.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.51 144.08 11.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -106.65 141.98 37.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -63.51 -53.08 57.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.06 -62.66 2.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -67.85 134.85 51.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.74 133.54 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -144.53 138.19 27.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 68' ' ' ALA . 32.2 mt -98.63 140.45 32.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.523 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 47.1 t80 -88.34 104.78 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.539 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 10.5 mm -102.37 118.68 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.157 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.57 144.7 15.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.46 37.83 3.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.418 ' CD1' ' HB2' ' A' ' 55' ' ' ALA . 25.1 pt -118.2 151.48 49.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 111.111 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 130.33 19.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.238 . . . . 0.0 112.36 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 19' ' ' MET . 28.1 mttt -64.19 -49.95 70.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 18' ' ' LYS . 5.2 ptp -34.44 -38.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -59.93 170.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -130.63 150.27 51.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -39.8 -42.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 13.0 pt-20 -54.46 -51.18 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.486 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 4.6 mp0 -62.63 -48.46 79.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.4 mt -53.78 -56.67 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.049 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 tp -43.86 -57.34 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -51.28 -55.69 16.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.785 ' O ' HG13 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -54.71 -23.0 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.969 HG22 HG11 ' A' ' 36' ' ' VAL . 12.8 mm -87.72 -40.03 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.39 -14.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -104.27 -50.21 3.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.992 HG23 HG23 ' A' ' 33' ' ' THR . 4.0 m -64.56 -29.28 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.992 HG23 HG23 ' A' ' 32' ' ' VAL . 41.6 p -141.12 116.22 9.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -87.57 128.19 35.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.79 16.68 4.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.969 HG11 HG22 ' A' ' 29' ' ' ILE . 1.2 m -85.02 151.8 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.624 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.2 tp -109.56 -50.59 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -164.33 162.78 22.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 56' ' ' PHE . 15.4 t -115.66 147.32 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.0 mt -129.54 135.47 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 41' ' ' VAL . 13.0 p -132.18 107.26 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.544 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 1.6 p90 -159.41 162.3 35.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 44' ' ' SER . . . -168.5 177.88 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.069 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' ALA . 25.0 t -35.52 -54.72 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.76 -73.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -172.77 117.57 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 40.89 30.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' CG ' ' HB2' ' A' ' 51' ' ' ASN . 28.3 mtmt 45.31 52.1 9.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 19.9 mtt -52.09 -39.14 59.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.828 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -90.61 -36.25 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.435 ' HB2' ' CG ' ' A' ' 48' ' ' LYS . 68.3 m-20 -82.28 174.34 11.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -56.59 146.39 25.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.21 136.48 25.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.626 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -153.74 168.09 27.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.626 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -157.52 153.56 27.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.418 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.4 m-85 -105.08 134.98 47.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.78 HG11 HG21 ' A' ' 29' ' ' ILE . 2.4 t -120.28 102.32 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -82.87 135.33 34.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.864 ' CE2' HG12 ' A' ' 36' ' ' VAL . 81.5 m-85 -120.24 134.13 55.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.624 ' HB3' HD13 ' A' ' 37' ' ' LEU . 13.6 pt-20 -54.71 -48.85 71.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.2 p -100.84 125.55 47.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -48.0 -30.93 4.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.3 tpp180 -73.19 -44.94 59.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.637 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -46.24 -27.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.13 -40.18 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.2 91.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.0 ptp -86.9 -18.48 30.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -75.51 -40.31 57.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -68.75 -46.92 67.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.476 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 12.0 ttt85 -52.7 -16.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -88.38 -38.62 14.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.561 HD23 HD13 ' A' ' 77' ' ' ILE . 2.7 mt -100.84 0.98 39.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.637 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -58.29 -52.08 77.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.539 0.685 . . . . 0.0 110.862 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.76 3.22 2.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.242 . . . . 0.0 112.333 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.51 18.6 63.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.5 mtp-105 -60.11 -34.6 73.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.745 0.307 . . . . 0.0 110.824 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.561 HD13 HD23 ' A' ' 72' ' ' LEU . 2.8 mp -98.73 144.61 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -128.02 150.57 49.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.747 HD12 HG21 ' A' ' 84' ' ' ILE . 79.1 mt -109.56 115.75 30.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.563 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.3 m-90 58.62 39.31 24.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.24 3.55 57.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -103.74 132.05 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -66.0 138.7 57.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.747 HG21 HD12 ' A' ' 79' ' ' LEU . 2.5 pp -130.86 154.72 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.42 138.99 45.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.508 HG12 ' CD1' ' A' ' 13' ' ' ILE . 16.6 m -104.76 135.48 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -137.87 151.98 48.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.436 ' O ' ' C ' ' A' ' 89' ' ' ALA . 5.1 m95 -70.21 102.11 2.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . -35.31 -48.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -109.43 138.61 20.59 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -51.56 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.234 . . . . 0.0 112.4 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -135.04 95.12 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.707 ' H ' HD12 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -87.13 177.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.663 ' H ' HG22 ' A' ' 93' ' ' ILE . 1.5 m-20 -91.62 35.88 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.537 HG13 ' HB ' ' A' ' 93' ' ' ILE . 34.3 m -75.7 -39.49 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.407 ' N ' HG23 ' A' ' 95' ' ' VAL . 4.5 m-20 -59.98 -32.42 70.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.26 -52.23 4.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -134.66 98.5 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 100' ' ' MET . 8.2 p -98.52 -41.15 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.434 ' N ' HG13 ' A' ' 99' ' ' VAL . 3.8 ptp -92.71 178.07 5.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -115.67 147.99 40.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 37.8 p -136.35 174.09 11.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 85.6 t -123.67 123.69 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 t -121.96 121.5 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 106.1 83.56 1.64 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 130.52 19.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.3 m -128.91 121.63 28.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 m -65.79 151.77 45.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -50.43 134.08 23.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 p -165.22 164.07 20.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.01 -41.18 18.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.7 m -43.76 -52.81 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 p -52.28 -53.28 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.79 -114.68 6.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -67.42 133.1 48.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 110.917 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.89 118.81 25.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -125.99 136.24 52.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 11' ' ' LEU . 18.1 mt -95.93 137.11 35.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.418 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 34.2 t80 -85.11 103.97 14.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.535 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 11.8 mm -101.81 117.5 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.28 136.28 9.05 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.545 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.58 -0.41 24.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.411 HG22 HG21 ' A' ' 84' ' ' ILE . 6.7 pt -77.78 145.63 70.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.63 0.729 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.452 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.8 Cg_endo -69.82 122.27 8.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.242 . . . . 0.0 112.372 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' CE ' ' O ' ' A' ' 51' ' ' ASN . 28.5 mttt -57.16 -34.43 68.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.45 ' CG ' ' HE2' ' A' ' 20' ' ' LYS . 5.6 ptp -43.48 -22.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HE3' ' CG ' ' A' ' 80' ' ' TRP . 32.4 mmtt -85.52 -177.73 6.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.65 155.27 45.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.487 ' HA ' HD12 ' A' ' 25' ' ' ILE . 27.5 ptt180 -42.87 -40.71 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.52 -39.65 88.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -75.94 -46.64 28.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 22' ' ' ARG . 30.1 mt -52.32 -54.05 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 tp -44.39 -60.39 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -50.12 -50.22 49.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.598 ' HB3' HD22 ' A' ' 79' ' ' LEU . 32.0 mm-40 -62.2 -14.79 41.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.042 HG22 HG11 ' A' ' 36' ' ' VAL . 19.9 mm -95.86 -38.93 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.5 -12.87 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.94 -52.03 3.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.939 HG23 HG23 ' A' ' 33' ' ' THR . 4.1 m -66.17 -23.24 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.939 HG23 HG23 ' A' ' 32' ' ' VAL . 70.7 p -145.47 110.02 5.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -84.65 127.46 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.25 14.0 5.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 1.042 HG11 HG22 ' A' ' 29' ' ' ILE . 1.3 m -83.03 155.38 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 111.104 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.522 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.0 tp -113.56 -49.6 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -164.21 155.52 15.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 56' ' ' PHE . 11.4 t -114.21 137.82 46.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp -114.53 140.19 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.666 ' O ' HG13 ' A' ' 41' ' ' VAL . 9.3 p -124.3 101.27 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.485 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 3.6 p90 -152.51 163.0 40.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 44' ' ' SER . . . -173.77 -175.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 43' ' ' ALA . 2.1 m -35.75 -44.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.88 168.84 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.123 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.81 164.43 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -78.22 59.5 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -95.26 169.04 10.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.8 ptp -53.56 -16.95 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -104.98 23.23 13.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.44 ' O ' ' CE ' ' A' ' 18' ' ' LYS . 34.9 t30 -78.46 172.88 13.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.4 154.34 40.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.51 51.96 4.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.647 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -138.45 168.16 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.895 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.647 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -158.4 152.06 23.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.485 ' CE2' ' CE2' ' A' ' 42' ' ' TYR . 10.9 m-85 -100.65 139.61 36.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.664 HG11 HG21 ' A' ' 29' ' ' ILE . 2.3 t -125.15 100.86 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -84.05 136.13 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.893 ' CE2' HG12 ' A' ' 36' ' ' VAL . 65.7 m-85 -119.94 136.62 54.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.522 ' HB3' HD13 ' A' ' 37' ' ' LEU . 15.9 pt-20 -55.31 -46.45 76.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 56.4 p -106.34 122.03 45.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -46.43 -24.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -75.73 -44.14 43.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -49.49 -31.02 9.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.68 -42.23 18.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.03 82.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -75.56 -29.06 59.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -65.34 -53.6 41.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.529 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 6.0 ptm180 -57.37 -39.96 77.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.414 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 7.5 ttm105 -62.29 -8.92 6.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -100.12 -25.17 14.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.698 HD23 HD13 ' A' ' 77' ' ' ILE . 1.2 mt -112.43 1.69 16.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.636 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -60.15 -51.99 76.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 110.849 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.1 Cg_endo -69.77 -2.25 9.86 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.8 28.77 73.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -68.19 -32.8 73.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.698 HD13 HD23 ' A' ' 72' ' ' LEU . 5.0 mp -100.13 137.56 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -118.11 140.77 49.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.769 HD12 HG21 ' A' ' 84' ' ' ILE . 71.5 mt -101.11 118.74 37.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.56 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.0 m-90 60.39 35.39 20.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.79 1.99 68.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.63 137.79 45.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.742 0.306 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.42 154.24 42.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.769 HG21 HD12 ' A' ' 79' ' ' LEU . 2.2 pp -144.28 156.71 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.99 137.73 53.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.694 HG11 HD12 ' A' ' 72' ' ' LEU . 15.6 m -113.15 119.21 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 88' ' ' TRP . 1.9 t70 -124.86 162.73 23.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.529 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 21.5 m95 -76.48 101.47 5.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.03 -70.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.455 ' CB ' HD11 ' A' ' 93' ' ' ILE . 3.4 mt-10 -149.32 139.5 13.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -50.42 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -165.37 106.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.732 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -104.88 -177.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.732 ' H ' HG22 ' A' ' 93' ' ' ILE . 28.8 m-20 -94.03 36.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.2 m -44.5 -25.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -55.35 -47.14 76.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -83.22 -48.34 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -143.61 120.51 11.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.3 p -121.94 -27.54 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 35.9 mtp -95.9 160.4 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.483 ' C ' ' CD ' ' A' ' 101' ' ' GLU . 1.0 OUTLIER -92.28 92.27 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.9 p -116.7 162.46 17.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.168 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.15 127.19 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 79.3 p -169.76 130.44 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 175.98 62.03 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -174.22 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.4 p -83.92 84.45 7.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 m -99.77 98.83 9.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -146.0 158.69 43.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 m -73.63 145.07 45.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.42 -173.13 42.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -58.58 144.51 42.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.93 0.395 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.7 p -117.3 153.62 32.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.2 -62.96 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -45.27 145.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.351 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.8 t -123.2 127.68 48.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -134.1 137.99 44.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.629 HD12 ' CE1' ' A' ' 59' ' ' TYR . 35.6 mt -98.98 139.22 34.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.505 ' CD1' ' CE2' ' A' ' 54' ' ' PHE . 62.7 t80 -85.24 102.13 13.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 21.3 mm -101.06 102.33 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.09 154.23 16.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.22 64.91 1.44 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.421 HD11 ' C ' ' A' ' 54' ' ' PHE . 19.8 pt -142.47 153.7 62.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.4 Cg_endo -69.8 142.6 48.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' LYS . 28.9 mttt -76.42 -40.95 49.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.6 ptp -38.62 -26.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' LYS . 32.0 mmtt -76.11 -174.81 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -144.04 158.23 43.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.444 ' HA ' HD12 ' A' ' 25' ' ' ILE . 26.5 ptt180 -49.46 -38.2 28.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.4 -40.94 85.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.64 -46.64 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 22' ' ' ARG . 25.4 mt -52.08 -48.95 41.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.638 ' HA ' HG21 ' A' ' 39' ' ' VAL . 4.0 tp -43.41 -59.84 1.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -49.07 -61.79 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.76 ' O ' HG13 ' A' ' 32' ' ' VAL . 16.0 mm-40 -45.81 -26.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.015 HG21 HG11 ' A' ' 57' ' ' VAL . 18.5 mm -87.97 -39.75 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.61 -13.05 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -103.77 -49.25 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.028 HG23 HG23 ' A' ' 33' ' ' THR . 3.9 m -64.8 -31.69 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 1.028 HG23 HG23 ' A' ' 32' ' ' VAL . 44.8 p -139.75 115.52 10.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -86.1 126.88 34.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.82 12.73 4.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.978 HG11 HG22 ' A' ' 29' ' ' ILE . 2.3 m -83.45 135.6 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.2 tp -92.2 -51.54 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -164.15 160.18 21.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.638 HG21 ' HA ' ' A' ' 26' ' ' LEU . 89.6 t -111.37 136.33 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -113.81 148.88 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.654 ' O ' HG13 ' A' ' 41' ' ' VAL . 5.4 p -139.16 114.01 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -160.21 127.69 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.474 ' CB ' ' HD2' ' A' ' 52' ' ' ARG . . . -134.93 97.93 3.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.086 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.4 p 51.79 25.58 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -168.44 -176.26 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.08 -71.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.538 ' HB2' HG13 ' A' ' 41' ' ' VAL . 10.6 p-10 -158.92 131.63 6.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.507 ' HD3' HD22 ' A' ' 51' ' ' ASN . 43.3 mttm -127.72 86.43 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.593 ' HB3' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -104.63 -1.63 26.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -102.44 -25.82 13.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.507 HD22 ' HD3' ' A' ' 48' ' ' LYS . 0.7 OUTLIER -133.13 65.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 4.1 mmp_? -152.6 152.48 31.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -113.44 27.65 9.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.683 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -159.35 169.14 24.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.901 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.683 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -160.56 155.39 24.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.623 ' O ' HG13 ' A' ' 39' ' ' VAL . 36.3 m-85 -101.61 135.21 43.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.015 HG11 HG21 ' A' ' 29' ' ' ILE . 2.5 t -122.47 110.47 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -83.25 143.13 30.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.886 ' CE2' HG12 ' A' ' 36' ' ' VAL . 74.9 m-85 -126.01 126.07 43.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.631 ' HB3' HD13 ' A' ' 37' ' ' LEU . 11.5 pt-20 -53.78 -48.0 70.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 2.2 t -91.69 120.47 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -44.46 -33.48 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 65' ' ' ALA . 21.2 tpp180 -79.77 -43.36 22.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.719 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -40.52 -27.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.433 ' HB1' ' HG ' ' A' ' 11' ' ' LEU . . . -91.59 -43.71 9.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -59.27 -45.82 90.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -79.33 -23.04 43.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -69.76 -29.99 67.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HA ' HG21 ' A' ' 86' ' ' VAL . 10.4 ptt180 -78.62 -36.03 44.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -62.01 -8.45 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -99.27 -23.65 15.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.724 HD12 HG11 ' A' ' 86' ' ' VAL . 1.6 mt -116.91 1.37 12.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.635 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -60.67 -52.0 75.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.836 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.3 Cg_endo -69.85 -7.01 19.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.62 28.76 62.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -67.04 -36.95 83.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.448 HD13 HD23 ' A' ' 72' ' ' LEU . 4.3 mp -101.49 146.88 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -126.51 153.61 44.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 28' ' ' GLU . 80.7 mt -108.48 120.14 41.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.4 m-90 54.48 35.66 23.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.38 9.35 81.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -110.07 135.61 50.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.841 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.9 137.22 58.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.619 HG21 HD12 ' A' ' 79' ' ' LEU . 2.7 pp -130.9 154.35 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.66 147.01 50.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.724 HG11 HD12 ' A' ' 72' ' ' LEU . 17.4 m -116.79 125.13 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -131.66 166.38 21.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -79.45 112.28 16.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.64 -25.62 27.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.419 ' HA ' ' HD2' ' A' ' 91' ' ' PRO . 13.0 pt-20 -122.64 94.15 47.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 90' ' ' GLU . 53.3 Cg_endo -69.83 -47.75 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -126.48 83.76 2.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.752 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.4 OUTLIER -62.95 -176.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.752 ' H ' HG22 ' A' ' 93' ' ' ILE . 8.9 m-20 -95.42 36.76 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.524 HG13 ' HB ' ' A' ' 93' ' ' ILE . 13.4 m -88.57 -13.45 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 95' ' ' VAL . 5.0 t70 -33.18 -36.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 99' ' ' VAL . 18.4 mm-40 -113.69 -174.29 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 97' ' ' GLU . 2.0 m-20 -32.91 93.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.5 p -61.19 -27.73 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 10.9 mtt -72.03 165.84 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -88.52 86.23 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.5 p -86.08 154.41 21.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.103 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.3 m -58.84 167.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 t -112.1 141.07 46.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.19 69.86 0.42 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 89.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.344 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.6 t -172.36 134.09 0.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -88.31 107.78 18.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -106.95 158.74 16.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.91 0.386 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -117.14 134.8 54.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.61 -72.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -52.93 128.52 27.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.1 p -97.74 158.88 15.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.98 106.25 2.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -112.48 153.26 27.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.359 . . . . 0.0 110.842 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.1 m -136.56 116.94 13.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 58' ' ' GLU . 30.5 mtm180 -142.97 141.63 31.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 68' ' ' ALA . 42.6 mt -95.23 142.03 28.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.644 ' CD1' ' CE2' ' A' ' 54' ' ' PHE . 52.9 t80 -85.92 102.13 13.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.602 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 10.9 mm -100.51 105.32 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.83 146.33 18.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.63 46.21 3.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.519 HG22 HG21 ' A' ' 84' ' ' ILE . 48.9 pt -117.59 151.99 49.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.66 0.743 . . . . 0.0 111.082 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.564 ' HB3' ' CD2' ' A' ' 82' ' ' HIS . 54.0 Cg_endo -69.7 126.76 13.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -64.82 -39.38 93.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.9 ptp -41.5 -36.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 33.3 mmtt -76.35 173.54 11.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -134.05 165.65 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -47.83 -32.47 6.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.457 ' N ' ' HG2' ' A' ' 22' ' ' ARG . 14.9 pt-20 -68.9 -32.43 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -84.02 -37.03 22.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.5 mt -64.97 -55.25 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.6 tp -41.12 -54.25 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -53.6 -65.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.886 ' HB3' HD22 ' A' ' 79' ' ' LEU . 40.9 mm-40 -45.93 -21.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.98 HG22 HG11 ' A' ' 36' ' ' VAL . 10.6 mm -90.58 -41.5 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.39 -13.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.81 -50.29 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.999 HG23 HG23 ' A' ' 33' ' ' THR . 5.8 m -64.03 -30.99 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.999 HG23 HG23 ' A' ' 32' ' ' VAL . 38.9 p -137.67 117.35 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -89.13 119.28 29.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.82 16.25 1.83 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.989 HG12 ' CE2' ' A' ' 59' ' ' TYR . 2.5 m -85.16 157.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.863 0.364 . . . . 0.0 111.133 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.655 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -115.34 -48.65 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.467 ' HA ' HD13 ' A' ' 26' ' ' LEU . 27.9 t70 -164.42 161.36 21.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' A' ' 26' ' ' LEU . 21.7 t -121.33 137.6 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.8 mp -120.89 140.17 45.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.4 151.49 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -100.87 155.92 17.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -172.96 147.81 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.0 p -95.19 -42.36 8.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.613 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -103.81 -62.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -160.07 105.65 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -39.63 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 46' ' ' ALA . 57.9 tttt -44.82 -72.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.21 -4.61 22.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.613 ' HD3' ' HB3' ' A' ' 45' ' ' ALA . 10.1 mtpt -111.44 19.92 17.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -48.24 139.38 8.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -78.17 161.32 27.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.15 32.72 2.74 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.644 ' CE2' ' CD1' ' A' ' 12' ' ' PHE . 6.7 t80 -158.11 165.18 35.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.567 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -145.11 152.18 39.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -111.75 110.17 20.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.677 HG11 HG21 ' A' ' 29' ' ' ILE . 5.2 t -97.45 107.55 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.462 ' HA ' ' CG ' ' A' ' 10' ' ' ARG . 2.4 tt0 -86.57 117.93 25.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.989 ' CE2' HG12 ' A' ' 36' ' ' VAL . 88.7 m-85 -103.01 131.95 49.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.655 ' HB3' HD13 ' A' ' 37' ' ' LEU . 15.3 pt-20 -59.41 -48.45 81.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t -92.66 123.07 35.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -47.96 -30.68 4.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -78.95 -44.68 21.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.662 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -42.11 -27.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.545 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -88.91 -43.55 11.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.02 -48.17 82.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -76.28 -20.7 57.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -73.25 -46.07 52.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.525 ' HA ' HG21 ' A' ' 86' ' ' VAL . 4.9 ptm180 -63.39 -37.06 85.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -62.2 -8.06 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -98.07 -34.93 10.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.476 HD23 HD13 ' A' ' 77' ' ' ILE . 6.2 mt -104.83 4.92 32.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.643 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -61.1 -52.11 74.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.5 Cg_endo -69.77 -5.56 16.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.45 24.95 76.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -66.44 -31.46 72.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.476 HD13 HD23 ' A' ' 72' ' ' LEU . 3.9 mp -100.71 139.69 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -123.02 146.02 48.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.886 HD22 ' HB3' ' A' ' 28' ' ' GLU . 75.9 mt -107.83 118.5 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.546 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.9 m-90 60.37 35.3 20.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.54 1.4 65.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.564 ' CD2' ' HB3' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -105.34 138.11 42.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -73.77 142.91 46.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.519 HG21 HG22 ' A' ' 16' ' ' ILE . 2.3 pp -136.02 160.52 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.87 155.29 48.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.525 HG21 ' HA ' ' A' ' 69' ' ' ARG . 14.5 m -123.33 120.95 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -125.71 170.91 11.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -83.63 104.33 13.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.01 -60.41 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.68 136.08 90.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.621 0.724 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -51.38 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.665 2.244 . . . . 0.0 112.37 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -134.99 92.8 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.755 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.4 OUTLIER -83.27 -177.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.755 ' H ' HG22 ' A' ' 93' ' ' ILE . 3.5 t70 -96.18 33.96 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 96' ' ' ASP . 20.9 m -74.94 -45.19 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.471 ' N ' HG23 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -44.33 -42.99 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -88.16 -53.22 4.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -133.43 109.35 9.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.7 p -123.98 -34.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -104.69 -177.14 3.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -99.06 118.29 35.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 19.1 p -146.38 121.01 9.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.105 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.9 m -60.43 164.19 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 79.3 p -138.35 137.94 37.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -152.05 146.2 14.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -13.2 34.38 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.313 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.8 m -63.29 -59.43 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.4 p -77.01 -45.33 27.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.0 p 42.55 42.1 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 110.793 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 m -118.97 96.21 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.22 49.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -151.72 120.3 6.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.868 0.366 . . . . 0.0 110.829 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -52.01 99.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.04 -168.81 12.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -118.56 111.02 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 m -125.53 118.49 25.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -137.51 140.23 41.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.596 HD12 ' CE1' ' A' ' 59' ' ' TYR . 24.2 mt -98.32 136.82 37.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.465 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 49.6 t80 -85.52 102.3 13.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.6 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 11.2 mm -100.12 115.62 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.1 143.69 16.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.12 45.73 2.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 pt -121.59 151.02 56.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 0.0 111.089 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.6 Cg_endo -69.73 130.08 18.75 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.686 2.258 . . . . 0.0 112.336 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' H ' ' CD ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -68.3 -44.47 75.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 18' ' ' LYS . 21.0 ptp -34.97 -38.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 43.7 mmtt -64.65 -176.96 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -140.52 159.91 41.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -48.18 -44.49 32.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.18 -35.63 71.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.09 -52.85 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.3 mt -49.09 -48.27 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.43 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.5 tp -51.45 -59.93 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -49.23 -43.36 42.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.623 ' HB3' HD22 ' A' ' 79' ' ' LEU . 35.5 mm-40 -65.52 -23.85 66.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.08 HG22 HG11 ' A' ' 36' ' ' VAL . 15.7 mm -86.21 -40.6 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.26 -13.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt -104.66 -50.09 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.82 HG23 HG23 ' A' ' 33' ' ' THR . 10.5 m -67.41 -24.85 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.82 HG23 HG23 ' A' ' 32' ' ' VAL . 58.2 p -145.14 114.73 7.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -86.4 128.48 34.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.14 13.87 5.23 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 1.08 HG11 HG22 ' A' ' 29' ' ' ILE . 1.7 m -85.34 155.86 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.775 HD13 ' HB3' ' A' ' 60' ' ' GLU . 9.9 tp -114.92 -49.25 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -160.22 160.6 32.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 56' ' ' PHE . 19.4 t -123.24 132.47 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.461 HG21 ' CE2' ' A' ' 42' ' ' TYR . 4.7 mp -109.39 154.65 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.44 ' N ' HG22 ' A' ' 40' ' ' ILE . 2.6 p -126.0 121.67 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.461 ' CE2' HG21 ' A' ' 40' ' ' ILE . 21.6 m-85 -132.56 149.12 52.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.521 ' HB1' ' HA ' ' A' ' 51' ' ' ASN . . . -174.37 170.79 3.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' ALA . 15.1 t -37.64 -38.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' ASP . . . -134.18 174.11 10.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.2 83.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' ALA . 0.2 OUTLIER 37.71 44.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -93.12 -179.7 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 71.5 mtp -52.33 -19.72 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -81.87 14.77 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.521 ' HA ' ' HB1' ' A' ' 43' ' ' ALA . 9.4 t30 -69.4 97.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -36.92 -33.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.434 ' N ' ' HG2' ' A' ' 52' ' ' ARG . . . 109.52 71.8 0.7 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.638 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -161.12 168.56 24.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.909 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.638 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -158.39 151.49 22.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.449 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.3 m-85 -101.11 141.04 34.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.781 HG11 HG21 ' A' ' 29' ' ' ILE . 2.7 t -126.42 104.27 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.159 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -83.21 133.97 34.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.917 ' CE2' HG12 ' A' ' 36' ' ' VAL . 89.8 m-85 -117.66 128.0 54.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.775 ' HB3' HD13 ' A' ' 37' ' ' LEU . 16.8 pt-20 -58.57 -44.55 89.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.674 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 3.4 t -88.99 123.29 33.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.427 ' O ' ' ND1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -47.87 -32.83 6.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -83.9 -41.45 17.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.674 ' HB2' ' HB3' ' A' ' 61' ' ' SER . . . -37.36 -36.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.77 -45.89 20.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.03 72.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -87.79 -24.05 23.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -73.67 -30.84 63.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.589 ' CZ ' ' CE ' ' A' ' 73' ' ' MET . 0.1 OUTLIER -81.23 -46.72 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.458 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -52.04 -19.27 1.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -86.42 -45.44 11.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.537 HD11 ' CG2' ' A' ' 33' ' ' THR . 4.1 mt -89.33 -3.23 58.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.638 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 3.3 ttt -59.13 -51.84 78.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.601 0.715 . . . . 0.0 110.927 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.76 3.46 2.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.12 26.42 63.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -67.45 -30.41 70.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.432 HD13 HD23 ' A' ' 72' ' ' LEU . 5.0 mp -106.3 147.42 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -129.42 145.96 51.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.794 HD12 HG21 ' A' ' 84' ' ' ILE . 65.9 mt -102.21 116.29 32.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.4 m-90 59.35 36.95 23.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.16 3.99 71.54 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -107.6 134.42 50.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.723 0.297 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -68.05 148.6 50.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.794 HG21 HD12 ' A' ' 79' ' ' LEU . 2.2 pp -138.47 155.45 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.48 144.1 51.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.475 HG12 ' CD1' ' A' ' 13' ' ' ILE . 28.4 m -112.84 133.06 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -137.04 154.67 50.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -70.1 112.46 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.22 -44.27 5.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.063 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -126.74 140.67 38.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.621 2.214 . . . . 0.0 112.382 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -154.9 114.46 3.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.74 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -106.37 -177.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.74 ' H ' HG22 ' A' ' 93' ' ' ILE . 1.9 m-20 -91.89 38.28 0.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.614 HG13 ' HB ' ' A' ' 93' ' ' ILE . 15.3 m -74.36 -29.18 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -66.23 -38.19 87.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -89.55 -66.72 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.78 106.66 10.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 100' ' ' MET . 7.5 p -93.27 -45.66 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.506 ' N ' HG13 ' A' ' 99' ' ' VAL . 15.2 ptp -79.99 164.6 23.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -107.27 39.3 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.0 p -120.99 156.8 31.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.7 p -103.9 134.29 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.9 p -169.38 122.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.49 75.02 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 140.09 41.59 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 57.9 p -153.88 175.86 12.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 m 50.69 44.32 27.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -87.07 150.51 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.362 . . . . 0.0 110.83 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -120.95 -61.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.64 119.53 3.22 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m -113.19 84.45 2.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 m -134.62 133.73 40.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.12 46.46 3.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -100.7 156.44 17.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.357 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 t -124.99 130.12 51.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -144.9 142.73 30.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.568 HD21 ' HB1' ' A' ' 65' ' ' ALA . 60.9 mt -102.57 141.74 34.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.445 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 37.4 t80 -88.42 102.22 14.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.76 ' CD1' HG12 ' A' ' 86' ' ' VAL . 19.7 mm -101.91 111.93 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.76 154.11 17.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.92 -9.92 51.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.571 HD11 ' C ' ' A' ' 54' ' ' PHE . 13.6 pt -67.9 151.58 97.08 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 0.0 111.159 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.523 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.7 Cg_endo -69.74 138.57 38.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.294 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' LYS . 13.8 mtmt -65.63 -52.09 54.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.405 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 14.0 ptp -38.14 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 18' ' ' LYS . 9.0 mptt -72.64 152.5 41.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -109.39 172.43 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.707 ' HA ' HD12 ' A' ' 25' ' ' ILE . 7.9 ptm180 -61.93 -48.29 81.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -48.09 -42.7 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -69.94 -51.83 29.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 22' ' ' ARG . 30.3 mt -47.02 -56.56 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.508 ' HA ' HG21 ' A' ' 39' ' ' VAL . 4.0 tp -46.53 -62.25 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -52.09 -57.06 10.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.478 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 10.1 tp10 -53.05 -17.2 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.01 HG21 HG11 ' A' ' 57' ' ' VAL . 5.7 mm -94.76 -38.99 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.48 -12.94 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.478 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 1.8 ptpm? -97.39 -54.96 2.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.847 HG23 HG23 ' A' ' 33' ' ' THR . 34.8 m -63.54 -29.97 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.847 HG23 HG23 ' A' ' 32' ' ' VAL . 29.8 p -137.84 113.14 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -88.18 123.1 32.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.02 15.1 1.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.838 HG11 HG22 ' A' ' 29' ' ' ILE . 2.0 m -83.96 154.69 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.373 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.545 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.2 tp -112.9 -49.71 2.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -164.02 160.31 21.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.508 HG21 ' HA ' ' A' ' 26' ' ' LEU . 18.3 t -114.79 137.11 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.414 HG21 ' CZ ' ' A' ' 42' ' ' TYR . 5.0 mp -116.72 140.11 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.695 ' O ' HG13 ' A' ' 41' ' ' VAL . 8.2 p -119.74 108.14 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.414 ' CZ ' HG21 ' A' ' 40' ' ' ILE . 29.1 m-85 -104.47 150.0 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 46' ' ' ALA . . . -168.34 109.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.504 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 7.8 t 33.92 48.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 44' ' ' SER . . . 72.15 43.1 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 43' ' ' ALA . . . -169.3 177.38 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' HA ' HG13 ' A' ' 41' ' ' VAL . 3.1 p30 -82.24 -57.45 3.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HB2' ' CB ' ' A' ' 43' ' ' ALA . 42.7 mttp 38.19 45.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -15.55 13.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -83.91 -23.78 31.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -124.66 60.46 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -150.22 127.42 11.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.84 27.3 20.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.684 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -155.22 169.29 24.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.851 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.684 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -159.93 151.65 20.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -103.59 128.11 50.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.01 HG11 HG21 ' A' ' 29' ' ' ILE . 2.2 t -115.49 108.21 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -82.08 138.0 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.752 ' CE2' HG12 ' A' ' 36' ' ' VAL . 65.0 m-85 -120.3 129.76 54.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.545 ' HB3' HD13 ' A' ' 37' ' ' LEU . 12.6 pt-20 -55.39 -47.97 75.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 32.2 t -94.4 127.31 40.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -51.94 -26.71 11.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -83.26 -42.52 17.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.656 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -44.09 -27.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.568 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -88.14 -43.04 11.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.03 -52.12 66.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.8 ptp -71.35 -23.34 61.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -71.72 -44.16 64.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 73' ' ' MET . 4.4 ptm180 -66.59 -43.82 83.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -54.51 -14.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -89.17 -40.64 12.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.537 HD23 HD13 ' A' ' 77' ' ' ILE . 4.8 mt -100.0 1.22 42.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.631 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -58.28 -52.23 76.07 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.72 0.97 4.85 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.733 2.288 . . . . 0.0 112.316 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.57 33.26 86.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -73.93 -33.5 63.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.537 HD13 HD23 ' A' ' 72' ' ' LEU . 4.9 mp -103.26 139.06 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -117.34 147.58 42.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.665 HD12 HG21 ' A' ' 84' ' ' ILE . 81.5 mt -102.92 114.53 28.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.59 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 2.7 m-90 58.53 41.7 22.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.9 7.04 58.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.523 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 10.4 m170 -109.15 138.16 45.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -67.17 143.5 56.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.665 HG21 HD12 ' A' ' 79' ' ' LEU . 2.6 pp -137.1 154.58 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -137.5 140.34 41.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.76 HG12 ' CD1' ' A' ' 13' ' ' ILE . 3.8 m -107.65 132.41 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -135.55 157.03 47.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -74.11 111.06 8.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.82 -57.85 5.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 5.1 mm-40 -85.16 126.54 67.23 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.654 0.74 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -133.81 84.11 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.678 ' H ' HD12 ' A' ' 93' ' ' ILE . 0.2 OUTLIER -76.08 174.47 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.544 ' H ' HG22 ' A' ' 93' ' ' ILE . 12.4 m-20 -86.14 39.17 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.481 HG13 ' HB ' ' A' ' 93' ' ' ILE . 16.7 m -96.13 -15.64 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 95' ' ' VAL . 6.2 t70 -33.12 -38.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 99' ' ' VAL . 26.3 mt-10 -111.22 -174.33 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 97' ' ' GLU . 63.1 m-20 -32.92 93.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.819 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.1 p -59.95 -40.78 83.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 23.2 ptm -106.04 177.01 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -97.38 128.4 44.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.4 p -130.97 159.55 37.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.88 120.27 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.5 t -130.78 160.35 34.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.25 83.39 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 176.82 6.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.733 2.288 . . . . 0.0 112.311 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.7 t -162.96 146.53 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.5 m -136.53 149.86 48.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m 53.73 42.22 31.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p 47.17 41.62 11.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.38 -168.71 12.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -154.2 115.76 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.3 p -95.16 91.23 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.88 143.7 4.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -77.31 131.64 38.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.8 m -84.17 116.7 23.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.465 ' HG2' ' CA ' ' A' ' 58' ' ' GLU . 28.5 mtm105 -139.05 145.48 39.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.76 HD12 ' CE1' ' A' ' 59' ' ' TYR . 48.0 mt -98.61 139.79 33.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -85.21 102.07 13.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.6 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 17.0 mm -102.76 105.49 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.0 147.53 18.92 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.54 54.32 1.35 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' ARG . 20.9 pt -137.29 149.63 66.37 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.631 0.729 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.491 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.7 Cg_endo -69.76 129.52 17.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.339 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' LYS . 39.0 mttt -59.27 -38.82 81.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.7 ptp -38.17 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.491 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 21.8 mmtt -70.97 172.7 8.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 24' ' ' GLU . 25.6 mtmt -138.13 143.32 40.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.608 ' HB3' HG12 ' A' ' 41' ' ' VAL . 24.8 ptt180 -37.29 -37.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -65.06 -42.67 93.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 21' ' ' LYS . 3.8 mm-40 -73.85 -58.12 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.6 mt -39.58 -53.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.4 tp -43.26 -60.7 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -46.44 -54.81 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.602 ' O ' HG13 ' A' ' 32' ' ' VAL . 20.6 mm-40 -57.19 -19.25 19.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.795 HG21 HG11 ' A' ' 57' ' ' VAL . 21.8 mm -92.96 -37.76 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.191 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.52 -12.42 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -102.64 -46.47 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.988 HG23 HG23 ' A' ' 33' ' ' THR . 4.3 m -68.21 -29.32 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.988 HG23 HG23 ' A' ' 32' ' ' VAL . 43.3 p -140.25 115.32 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -87.61 122.21 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.441 ' HA3' ' HB1' ' A' ' 64' ' ' ALA . . . 127.56 16.74 2.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.971 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.4 m -84.63 156.61 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.662 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.9 tp -115.36 -49.78 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -164.32 169.15 17.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 t -122.02 145.67 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.404 HD12 ' HD3' ' A' ' 10' ' ' ARG . 16.7 mt -128.29 122.73 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.608 HG12 ' HB3' ' A' ' 22' ' ' ARG . 2.8 p -140.99 160.1 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.584 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 15.8 m-85 -100.19 115.24 29.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.36 -20.77 58.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -76.01 57.86 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 37.51 36.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.584 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . . . -115.35 -24.68 8.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 46' ' ' ALA . 15.5 p-10 -32.38 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' ALA . 12.5 ptmt -75.81 108.73 8.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.86 -58.93 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 51' ' ' ASN . 28.0 pttt -126.88 -35.97 2.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.485 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 2.0 t-20 -105.57 170.35 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 16' ' ' ILE . 22.8 ptt180 -61.01 90.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.45 125.94 0.18 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -138.52 163.74 31.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.553 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -150.1 155.83 40.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.405 ' CE1' ' HZ ' ' A' ' 54' ' ' PHE . 5.7 m-85 -108.25 133.15 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.795 HG11 HG21 ' A' ' 29' ' ' ILE . 4.4 t -117.41 106.2 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.465 ' CA ' ' HG2' ' A' ' 10' ' ' ARG . 4.9 tt0 -85.4 123.79 31.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.971 ' CE2' HG12 ' A' ' 36' ' ' VAL . 58.4 m-85 -106.27 141.06 38.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.662 ' HB3' HD13 ' A' ' 37' ' ' LEU . 12.3 pt-20 -66.89 -50.19 63.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.477 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 39.3 t -88.67 118.16 28.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -43.84 -34.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -76.89 -44.28 32.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.741 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -43.07 -31.85 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.447 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . . . -85.22 -43.68 13.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -59.66 -48.37 81.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -78.17 -13.26 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -81.31 -23.86 37.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.55 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 3.6 ptm180 -86.42 -40.53 15.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -60.06 -10.53 4.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -95.7 -34.58 11.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.628 HD12 HG11 ' A' ' 86' ' ' VAL . 5.8 mt -102.17 2.1 36.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.646 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -65.14 -51.51 54.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.864 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.78 3.55 2.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.2 30.03 76.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.497 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -69.25 -36.17 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.566 HD13 HD23 ' A' ' 72' ' ' LEU . 4.9 mp -103.87 146.55 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.486 ' NE2' ' HA ' ' A' ' 83' ' ' GLN . 24.6 mm-40 -123.35 161.09 25.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.637 HD12 HG21 ' A' ' 84' ' ' ILE . 39.6 mt -117.63 118.51 32.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.0 m-90 52.95 45.85 27.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.14 6.67 27.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -108.76 144.42 36.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.873 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.486 ' HA ' ' NE2' ' A' ' 78' ' ' GLN . 33.4 tt0 -69.66 149.55 47.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.637 HG21 HD12 ' A' ' 79' ' ' LEU . 2.5 pp -143.19 152.6 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.37 138.0 44.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.628 HG11 HD12 ' A' ' 72' ' ' LEU . 15.8 m -107.33 133.49 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.83 164.18 28.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.55 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 17.3 m95 -79.95 112.25 17.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.15 -54.43 29.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -49.45 140.85 13.11 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.653 0.739 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -48.35 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.377 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -160.62 108.18 1.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.757 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -99.58 -175.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.757 ' H ' HG22 ' A' ' 93' ' ' ILE . 8.3 t70 -93.31 35.87 1.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 96' ' ' ASP . 33.5 m -86.45 -39.79 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.404 ' N ' HG23 ' A' ' 95' ' ' VAL . 4.8 t0 -46.35 -58.02 4.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 11.0 pt-20 -65.29 -41.5 94.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.463 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 3.3 m-20 -170.56 126.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.0 p -110.02 -37.92 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 9.4 ptm -98.75 166.88 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -87.43 123.47 32.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 61.9 p -132.29 151.07 52.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.184 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.9 t -149.8 147.82 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.5 p -161.5 161.95 30.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -118.78 134.78 11.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 85.7 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -111.54 150.01 30.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 m -151.3 155.65 39.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -135.36 126.61 28.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -111.03 136.73 49.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.17 -168.02 32.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.6 p -83.69 -46.64 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.368 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -57.91 111.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . -142.96 55.58 0.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.439 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' GLY . 23.0 p-10 -37.46 111.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 65' ' ' ALA . 1.8 t -133.04 139.33 47.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -137.95 135.01 35.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.62 HD12 ' CE1' ' A' ' 59' ' ' TYR . 33.8 mt -99.14 139.11 35.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -86.16 104.65 15.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.578 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 8.6 mm -104.55 111.98 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.33 145.86 16.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.52 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.47 37.89 4.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.416 HD11 ' C ' ' A' ' 54' ' ' PHE . 13.2 pt -111.23 152.57 43.89 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.662 0.744 . . . . 0.0 111.108 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 133.98 26.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' MET . 18.0 mttp -66.02 -50.7 63.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' LYS . 10.5 ptp -37.5 -35.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -62.92 167.72 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -126.44 165.52 18.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.808 ' HA ' HD12 ' A' ' 25' ' ' ILE . 34.9 ptt180 -58.89 -47.85 83.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 9.1 pt-20 -53.65 -31.26 46.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -81.12 -45.95 15.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 22' ' ' ARG . 19.0 mt -51.41 -54.83 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 38' ' ' ASP . 5.3 tp -46.31 -53.94 9.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.82 -60.36 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.635 ' O ' HG13 ' A' ' 32' ' ' VAL . 26.9 mm-40 -50.63 -22.29 1.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.955 HG22 HG11 ' A' ' 36' ' ' VAL . 8.5 mm -89.74 -37.86 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.54 -12.65 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.8 -51.19 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.041 HG23 HG23 ' A' ' 33' ' ' THR . 3.7 m -66.26 -30.53 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 1.041 HG23 HG23 ' A' ' 32' ' ' VAL . 50.9 p -134.3 113.22 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -87.85 124.15 33.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.04 10.79 5.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.955 HG11 HG22 ' A' ' 29' ' ' ILE . 1.1 m -80.37 151.84 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.143 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.675 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -109.3 -50.51 2.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.436 ' HA ' HD13 ' A' ' 26' ' ' LEU . 28.7 t70 -163.3 162.43 25.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 56' ' ' PHE . 10.5 t -116.56 137.7 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -112.4 135.4 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.47 ' CG2' ' HE2' ' A' ' 48' ' ' LYS . 14.8 p -114.77 142.69 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -101.53 121.85 42.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -173.2 -178.61 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.1 m -92.89 -48.82 6.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.27 -71.62 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.054 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.76 173.42 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -40.65 -61.76 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.543 ' NZ ' HD11 ' A' ' 25' ' ' ILE . 2.4 ptpt -173.84 106.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -100.12 -57.7 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -114.76 21.2 14.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -105.08 150.24 25.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -46.06 159.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.76 75.28 1.65 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.606 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -141.8 166.41 24.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.606 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -153.07 157.16 40.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.454 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.0 m-85 -106.57 139.35 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.638 HG11 HG21 ' A' ' 29' ' ' ILE . 5.6 t -122.74 109.32 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -86.58 136.54 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.906 ' CE2' HG12 ' A' ' 36' ' ' VAL . 78.8 m-85 -122.78 128.63 50.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.675 ' HB3' HD13 ' A' ' 37' ' ' LEU . 11.7 pt-20 -56.34 -48.97 75.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.57 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 4.1 m -88.25 114.86 25.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -42.66 -30.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -82.98 -38.14 23.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.713 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -45.64 -27.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.067 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.495 ' O ' HD21 ' A' ' 11' ' ' LEU . . . -92.48 -37.02 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.6 93.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -89.43 -12.74 39.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -82.32 -18.42 42.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' O ' HG21 ' A' ' 86' ' ' VAL . 4.0 ptt-85 -82.23 -36.6 27.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -65.65 -8.3 19.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -95.89 -19.32 19.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.823 HD12 HG11 ' A' ' 86' ' ' VAL . 1.6 mt -124.06 4.51 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.635 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -65.76 -52.03 45.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.525 0.679 . . . . 0.0 110.883 179.816 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.79 -2.57 10.41 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.35 21.83 78.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -62.43 -34.68 77.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.74 147.85 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -127.99 150.06 50.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 28' ' ' GLU . 26.3 mt -103.55 113.01 26.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.5 m-90 59.46 37.88 22.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.71 3.25 66.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.97 133.13 51.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.718 0.294 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -61.48 141.28 57.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.99 154.67 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.85 144.79 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.146 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.823 HG11 HD12 ' A' ' 72' ' ' LEU . 13.5 m -118.78 125.25 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -139.49 164.83 28.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -68.8 127.06 31.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.85 -54.86 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.26 121.88 1.6 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.656 0.741 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.402 ' HB2' ' CD ' ' A' ' 92' ' ' GLU . 53.9 Cg_endo -69.77 -50.55 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.686 2.258 . . . . 0.0 112.329 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.402 ' CD ' ' HB2' ' A' ' 91' ' ' PRO . 1.1 pm0 -151.06 115.67 5.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.713 ' H ' HD12 ' A' ' 93' ' ' ILE . 0.1 OUTLIER -112.98 161.32 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.105 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -79.06 43.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.463 HG13 ' HB ' ' A' ' 93' ' ' ILE . 16.1 m -58.42 -23.12 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -56.39 -53.53 56.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -85.92 -43.85 12.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -146.82 131.17 17.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.5 -37.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.4 mmt -75.81 175.91 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -119.57 84.41 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.2 p -123.19 135.06 54.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.5 p -129.83 -31.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.4 t -113.28 -50.99 2.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 134.11 75.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.443 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 121.09 7.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.393 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 t -61.5 104.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.6 m -57.31 -56.76 17.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -79.36 114.94 18.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 p -164.43 174.77 10.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.87 72.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 t -156.81 124.72 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -146.63 138.63 24.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.38 -107.19 3.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.535 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 51.45 44.62 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t -103.42 116.89 33.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -137.78 144.31 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.551 HD12 ' CE1' ' A' ' 59' ' ' TYR . 34.2 mt -97.43 138.17 35.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 87' ' ' ASP . 34.3 t80 -84.98 102.15 12.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 24.0 mm -99.64 108.41 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.171 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.94 147.35 18.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.498 ' O ' HG22 ' A' ' 84' ' ' ILE . . . 92.1 60.36 1.26 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.2 pt -136.4 149.87 68.95 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 111.116 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.504 ' HD2' ' CE3' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.73 126.31 13.18 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 19' ' ' MET . 37.7 mttt -61.68 -45.18 95.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.7 ptp -33.5 -40.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 29.8 mmtt -63.97 -174.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.19 158.79 43.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.514 ' HA ' HD12 ' A' ' 25' ' ' ILE . 16.3 ptt180 -46.09 -43.99 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -56.99 -36.82 70.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -76.46 -51.55 11.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 22' ' ' ARG . 16.9 mt -49.48 -49.49 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.593 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.6 tp -49.99 -58.48 5.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -53.93 -54.14 42.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.568 ' HB3' HD22 ' A' ' 79' ' ' LEU . 1.1 mp0 -54.0 -19.65 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.718 HG22 HG11 ' A' ' 36' ' ' VAL . 7.0 mm -95.62 -36.98 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.82 -11.93 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.069 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.44 -50.33 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.941 HG23 HG23 ' A' ' 33' ' ' THR . 18.0 m -67.12 -33.89 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.941 HG23 HG23 ' A' ' 32' ' ' VAL . 34.5 p -135.06 112.82 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -87.07 133.9 33.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.22 2.72 10.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.864 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.4 m -69.97 153.64 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.589 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.2 tp -112.95 -48.79 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -162.87 160.55 25.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 56' ' ' PHE . 42.7 t -118.84 136.35 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.6 mt -116.23 142.32 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.457 HG21 ' CG ' ' A' ' 47' ' ' ASP . 8.9 p -122.91 159.37 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -108.53 112.23 24.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -167.65 128.55 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.5 p -51.77 -60.4 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.21 -53.34 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -123.51 132.38 53.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.457 ' CG ' HG21 ' A' ' 41' ' ' VAL . 24.8 t70 -87.3 47.14 1.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -118.38 -46.86 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.7 mmt -99.93 -41.54 7.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -85.04 22.21 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.417 ' CG ' ' HG2' ' A' ' 18' ' ' LYS . 59.9 t-20 -94.54 118.11 31.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.3 mmm-85 -72.38 -38.95 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.86 51.03 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.619 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -161.7 167.63 24.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.619 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -151.9 160.43 43.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.62 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.1 m-85 -112.28 141.33 46.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.681 HG11 HG21 ' A' ' 29' ' ' ILE . 3.4 t -127.01 108.26 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -86.36 123.46 31.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.864 ' CE2' HG12 ' A' ' 36' ' ' VAL . 80.7 m-85 -105.34 135.15 47.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.589 ' HB3' HD13 ' A' ' 37' ' ' LEU . 14.1 pt-20 -56.81 -51.86 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.8 m -94.24 131.96 39.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -56.3 -21.81 26.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -83.59 -43.9 15.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.701 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -46.43 -30.5 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.11 -42.94 15.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.49 -46.06 91.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.428 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 1.6 ptp -80.88 -12.53 59.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -85.46 -19.07 31.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 73' ' ' MET . 14.9 ptt85 -89.67 -41.13 12.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 67' ' ' MET . 2.6 ptp85 -58.6 -12.14 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -93.16 -31.68 14.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.471 ' HB2' ' CG1' ' A' ' 86' ' ' VAL . 7.6 mt -107.19 2.07 24.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.641 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -63.19 -51.9 65.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.887 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.74 1.26 4.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.71 28.07 72.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -69.35 -37.31 77.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.552 ' O ' HD11 ' A' ' 84' ' ' ILE . 4.4 mp -104.72 136.43 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 78' ' ' GLN . 23.0 mm-40 -116.61 169.33 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.584 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 92.5 mt -121.17 118.12 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.7 m-90 59.67 31.61 20.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.87 4.93 83.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -104.51 135.75 45.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.751 0.31 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.403 ' HA ' ' OE1' ' A' ' 78' ' ' GLN . 19.0 tt0 -59.84 139.3 57.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.552 HD11 ' O ' ' A' ' 77' ' ' ILE . 2.7 pp -136.35 153.52 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.96 139.94 36.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 13' ' ' ILE . 19.3 m -103.7 138.45 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.416 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . 11.3 m-20 -139.22 157.58 45.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -73.61 114.17 11.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.97 -59.09 2.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.791 ' OE2' HD11 ' A' ' 93' ' ' ILE . 2.2 pp20? -82.26 128.73 66.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -51.27 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -160.32 105.35 1.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.791 HD11 ' OE2' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -80.83 179.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.637 ' H ' HG22 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -87.47 40.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.7 m -62.13 -24.03 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.56 -44.64 95.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -87.87 -49.64 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.27 115.5 11.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.6 p -129.8 -30.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.3 ptp -80.06 174.7 11.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -154.29 153.59 31.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 54.8 p -115.01 168.56 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 p -141.44 129.61 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.7 m -175.05 116.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -96.24 135.3 12.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 175.28 8.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.337 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 t -139.06 173.89 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.7 t -130.81 118.07 20.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.513 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -96.24 -48.25 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 t -83.29 109.48 17.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.71 169.09 40.4 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.449 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 t -145.65 166.6 25.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -169.57 129.41 1.01 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.65 -151.71 18.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -89.06 111.44 22.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t -137.65 117.24 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -133.73 146.38 50.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 11' ' ' LEU . 18.8 mt -105.37 140.14 38.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.437 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 47.0 t80 -88.14 102.02 14.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.553 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 8.6 mm -100.92 111.2 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.32 150.94 17.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.95 28.29 8.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.638 HD11 ' C ' ' A' ' 54' ' ' PHE . 17.1 pt -106.41 153.44 40.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.669 0.747 . . . . 0.0 111.115 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 159.67 52.51 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.237 . . . . 0.0 112.331 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 20' ' ' LYS . 2.8 mptt -88.44 -55.63 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.3 ptp -38.13 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' LYS . 7.2 mptt -74.93 154.84 37.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -118.52 167.5 11.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.577 ' HA ' HD12 ' A' ' 25' ' ' ILE . 8.2 ptm180 -54.92 -47.04 74.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -47.55 -34.16 7.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -83.53 -43.75 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 22' ' ' ARG . 20.7 mt -58.91 -54.59 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.588 ' HA ' HG21 ' A' ' 39' ' ' VAL . 5.1 tp -44.36 -55.03 5.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -53.43 -64.0 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.86 ' HB3' HD22 ' A' ' 79' ' ' LEU . 35.5 mm-40 -45.25 -22.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.95 HG22 HG11 ' A' ' 36' ' ' VAL . 13.4 mm -90.23 -39.01 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.31 -14.22 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -104.32 -51.08 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 29' ' ' ILE . 18.7 m -65.76 -26.68 39.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.76 HG23 HG23 ' A' ' 32' ' ' VAL . 71.9 p -143.64 108.47 4.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -82.61 134.39 35.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.17 15.03 7.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.95 HG11 HG22 ' A' ' 29' ' ' ILE . 1.1 m -83.75 157.92 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.148 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -117.66 -48.3 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -164.16 158.53 19.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 56' ' ' PHE . 75.9 t -116.98 135.78 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.1 mt -118.85 109.61 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.684 ' O ' HG13 ' A' ' 41' ' ' VAL . 14.3 p -104.31 103.32 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -159.64 167.54 28.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.697 ' HB2' ' HA ' ' A' ' 51' ' ' ASN . . . -133.07 -51.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -118.96 -56.23 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.56 -60.31 1.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.066 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.88 -179.03 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.484 ' HB3' HG13 ' A' ' 41' ' ' VAL . 8.3 p-10 -39.21 111.06 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.96 143.45 42.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 15.0 ptm -56.29 -13.38 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -102.09 22.29 13.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.697 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 25.0 p-10 -80.33 43.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 51' ' ' ASN . 44.7 mtp180 34.39 36.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' ASN . . . 41.71 49.1 5.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.638 ' C ' HD11 ' A' ' 16' ' ' ILE . 1.3 t80 -127.29 168.74 14.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.365 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.638 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -157.53 152.7 25.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.647 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.6 m-85 -105.13 147.83 27.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.591 HG11 HG21 ' A' ' 29' ' ' ILE . 11.1 t -130.51 104.6 10.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -86.56 120.15 27.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.852 ' CE2' HG12 ' A' ' 36' ' ' VAL . 66.2 m-85 -104.2 135.04 46.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.682 ' HB3' HD13 ' A' ' 37' ' ' LEU . 16.2 pt-20 -60.81 -42.48 97.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.688 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 3.2 m -91.91 124.05 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -46.55 -33.66 4.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' ALA . 3.1 tpt180 -84.21 -40.77 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.688 ' HB2' ' HB2' ' A' ' 61' ' ' SER . . . -38.16 -26.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -91.87 -41.19 10.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -65.91 -42.85 89.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -82.27 -11.76 58.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -87.72 -27.31 22.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 73' ' ' MET . 12.0 ptt85 -78.13 -39.93 39.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -54.49 -14.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -91.6 -41.23 10.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.44 ' HB2' HG13 ' A' ' 86' ' ' VAL . 4.0 mt -98.15 5.65 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.642 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -64.68 -52.0 54.53 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.557 0.694 . . . . 0.0 110.875 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.9 Cg_endo -69.74 -9.6 26.5 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.04 31.55 61.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -73.41 -35.84 65.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.438 HD13 HD23 ' A' ' 72' ' ' LEU . 5.2 mp -96.52 138.54 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -120.8 146.65 46.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.86 HD22 ' HB3' ' A' ' 28' ' ' GLU . 31.8 mt -107.8 119.2 38.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.447 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.3 m-90 60.94 32.77 19.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.4 -1.28 71.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -103.58 136.43 43.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.718 0.294 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -70.15 146.68 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.779 HG21 HD12 ' A' ' 79' ' ' LEU . 2.2 pp -135.97 155.45 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.1 136.32 43.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.516 HG12 ' CD1' ' A' ' 13' ' ' ILE . 15.5 m -101.38 132.27 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.41 149.03 49.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 89' ' ' ALA . 6.1 m95 -63.68 104.77 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . -35.15 -49.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.431 ' OE1' ' HB3' ' A' ' 89' ' ' ALA . 10.2 mp0 -124.9 142.99 42.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.664 0.745 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -50.61 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.24 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -162.98 117.43 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.741 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -110.77 -176.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.741 ' H ' HG22 ' A' ' 93' ' ' ILE . 2.3 m-20 -91.78 38.91 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.459 HG13 ' HB ' ' A' ' 93' ' ' ILE . 26.5 m -64.96 -36.02 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -49.28 -39.03 29.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -74.55 -56.54 4.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -152.01 111.81 4.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.4 p -105.59 -34.45 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -72.54 172.97 9.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -147.81 121.92 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.8 p -107.71 146.68 31.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.3 p -117.22 -19.58 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.3 m -153.61 131.49 11.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -178.84 129.29 1.36 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 109.09 2.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.685 2.257 . . . . 0.0 112.393 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 88.1 p -44.55 132.91 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.8 t -158.97 112.88 2.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 m -39.39 125.86 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.8 p -92.62 161.58 14.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.37 -136.17 13.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -78.95 110.44 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -113.91 125.2 53.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.63 -131.3 2.23 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -72.94 146.43 46.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.348 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.8 t -118.74 118.24 31.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -133.04 135.21 45.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.531 HD12 ' CE1' ' A' ' 59' ' ' TYR . 26.3 mt -96.43 140.86 30.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.482 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 47.8 t80 -87.59 101.94 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 15.6 mm -99.31 104.88 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.71 157.97 14.59 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.27 45.33 5.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -121.74 151.59 57.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 111.085 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 128.57 16.19 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.653 2.235 . . . . 0.0 112.334 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 19' ' ' MET . 36.5 mttt -55.75 -54.39 45.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 18' ' ' LYS . 8.4 ptp -34.14 -42.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HE3' ' CD1' ' A' ' 80' ' ' TRP . 6.6 mptt -62.72 147.14 50.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -118.48 168.37 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -49.88 -40.05 41.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -53.42 -49.07 68.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -73.3 -49.37 27.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.5 mt -51.08 -57.11 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HA ' HG21 ' A' ' 39' ' ' VAL . 4.3 tp -45.21 -58.85 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.02 -39.77 82.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.554 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -67.46 -20.0 65.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.849 HG22 HG11 ' A' ' 36' ' ' VAL . 5.2 mm -95.67 -35.75 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.38 -7.28 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -100.97 -48.32 4.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.621 HG23 HG23 ' A' ' 33' ' ' THR . 25.4 m -72.27 -28.86 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.632 ' HB ' ' HB1' ' A' ' 68' ' ' ALA . 40.3 p -137.97 111.34 8.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -85.8 125.99 33.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.1 9.36 3.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.979 HG12 ' CE2' ' A' ' 59' ' ' TYR . 2.6 m -80.47 158.59 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 111.121 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.558 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.3 tp -118.03 -47.97 2.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -163.88 160.5 22.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.726 HG13 ' O ' ' A' ' 56' ' ' PHE . 90.0 t -118.13 137.32 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mp -108.34 140.39 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.628 ' O ' HG13 ' A' ' 41' ' ' VAL . 11.5 p -141.65 113.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -100.39 128.54 46.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.597 ' HB3' ' H ' ' A' ' 47' ' ' ASP . . . -154.53 -177.6 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.066 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 t -109.11 -30.7 7.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.63 42.62 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.054 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.76 37.68 9.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.597 ' H ' ' HB3' ' A' ' 43' ' ' ALA . 0.2 OUTLIER 70.49 45.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -87.28 -179.89 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.1 ttm -60.11 -14.16 15.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -91.43 21.85 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.545 ' CG ' ' N ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -124.25 170.04 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.545 ' N ' ' CG ' ' A' ' 51' ' ' ASN . 8.6 mmm180 -60.23 172.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -116.2 65.63 0.32 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.6 OUTLIER -155.77 167.02 31.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.916 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.605 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -153.85 155.92 36.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.726 ' O ' HG13 ' A' ' 39' ' ' VAL . 5.9 m-85 -109.83 146.12 35.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.707 HG11 HG21 ' A' ' 29' ' ' ILE . 4.2 t -129.01 112.05 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -87.87 115.04 25.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.979 ' CE2' HG12 ' A' ' 36' ' ' VAL . 71.6 m-85 -97.06 134.36 40.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.558 ' HB3' HD13 ' A' ' 37' ' ' LEU . 11.0 pt-20 -59.98 -49.42 77.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -91.49 121.18 32.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -46.1 -35.01 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -76.69 -42.75 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.707 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -42.64 -33.57 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.465 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -84.66 -42.16 15.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.13 91.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -82.05 -29.29 31.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -64.0 -33.83 76.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 73' ' ' MET . 20.4 ptt85 -73.88 -40.26 63.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.42 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 44.8 ttt-85 -56.65 -14.04 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -92.19 -30.53 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.431 HD21 ' HB ' ' A' ' 32' ' ' VAL . 15.2 mt -107.6 -0.27 22.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.646 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -61.08 -51.85 76.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.565 0.698 . . . . 0.0 110.925 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.9 Cg_endo -69.77 2.04 3.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.66 25.7 65.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.8 mtm105 -67.36 -33.03 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.515 HG21 HG11 ' A' ' 32' ' ' VAL . 4.0 mp -101.35 148.33 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -130.97 155.2 47.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.857 HD12 HG21 ' A' ' 84' ' ' ILE . 75.1 mt -112.92 122.87 48.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.1 m-90 53.71 40.05 30.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.97 6.43 56.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -105.32 136.64 44.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.723 0.297 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.28 133.32 49.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.857 HG21 HD12 ' A' ' 79' ' ' LEU . 2.8 pp -127.51 154.96 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.15 142.32 35.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 13' ' ' ILE . 15.9 m -106.01 133.52 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.427 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . 8.5 m-20 -133.69 156.74 47.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -75.44 110.55 9.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.66 155.13 26.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -131.76 113.06 15.09 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.657 0.741 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -50.22 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -150.43 114.46 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.743 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -89.48 -177.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.743 ' H ' HG22 ' A' ' 93' ' ' ILE . 10.0 t0 -92.87 33.97 1.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 96' ' ' ASP . 28.8 m -84.61 -41.41 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.423 ' N ' HG23 ' A' ' 95' ' ' VAL . 51.7 m-20 -56.9 -43.2 81.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -77.05 -57.91 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -134.95 105.69 6.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.9 p -103.38 -26.52 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -130.41 179.44 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -91.47 90.23 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 104' ' ' SER . 5.4 t -122.42 -179.79 4.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 103' ' ' VAL . 9.0 p 40.0 26.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' THR . 69.1 p -52.31 157.0 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -70.41 -143.0 0.21 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 157.87 58.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.73 2.287 . . . . 0.0 112.365 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.5 t -167.83 118.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.3 t -63.15 -56.27 18.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 m -107.14 -59.28 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -51.3 -50.18 59.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.822 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.1 -117.95 1.17 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.447 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -40.37 -44.78 2.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 t -84.55 81.23 8.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.94 145.07 23.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -53.65 102.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.0 m -135.61 117.36 15.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -141.39 142.57 33.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.534 HD12 ' CE1' ' A' ' 59' ' ' TYR . 41.2 mt -99.84 137.6 38.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -84.87 101.56 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.743 ' CD1' HG12 ' A' ' 86' ' ' VAL . 21.9 mm -100.87 108.32 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.81 150.53 18.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.22 52.06 2.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.437 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.5 pt -127.28 151.56 74.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 111.115 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 129.45 17.67 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -57.79 -45.61 85.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.435 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 9.9 ptp -46.67 -25.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.536 ' HG2' ' CD2' ' A' ' 80' ' ' TRP . 5.8 mptt -84.39 116.93 23.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.489 ' HE3' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -83.12 173.64 11.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.533 ' HA ' HD12 ' A' ' 25' ' ' ILE . 12.2 ptt85 -57.62 -39.59 77.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.49 -40.3 65.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.24 -46.84 21.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 22' ' ' ARG . 29.1 mt -54.11 -56.91 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.626 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.4 tp -44.22 -65.93 0.45 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -50.52 -46.69 57.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.554 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -61.8 -18.25 59.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.751 HG21 HG11 ' A' ' 57' ' ' VAL . 9.3 mm -96.31 -36.9 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.42 -7.77 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -101.49 -48.78 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.668 HG23 HG23 ' A' ' 33' ' ' THR . 27.3 m -71.28 -30.62 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.668 HG23 HG23 ' A' ' 32' ' ' VAL . 42.2 p -137.55 109.69 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.6 134.84 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.65 10.17 7.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.822 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.6 m -78.4 161.53 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 111.147 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.666 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -121.95 -48.38 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -164.32 146.75 8.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.626 HG21 ' HA ' ' A' ' 26' ' ' LEU . 53.0 t -110.16 131.27 61.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 41' ' ' VAL . 5.3 mp -106.4 155.9 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.462 ' N ' HG22 ' A' ' 40' ' ' ILE . 2.7 p -137.96 107.23 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.436 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 4.8 p90 -160.32 124.87 3.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.46 74.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.6 m 45.35 38.46 3.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.17 179.99 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -74.12 109.69 7.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 5.0 p-10 -39.1 96.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' ALA . 24.6 mmmt -142.72 177.68 8.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -12.35 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.35 19.6 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -68.16 148.03 51.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -50.21 -59.65 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.41 50.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.615 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -153.4 167.44 29.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.94 0.4 . . . . 0.0 110.842 -179.832 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.615 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -151.61 157.71 42.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.452 ' O ' HG13 ' A' ' 39' ' ' VAL . 5.0 m-85 -111.58 135.8 51.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.751 HG11 HG21 ' A' ' 29' ' ' ILE . 6.1 t -120.87 108.93 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -85.22 125.75 33.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.822 ' CE2' HG12 ' A' ' 36' ' ' VAL . 69.8 m-85 -108.6 133.52 52.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.666 ' HB3' HD13 ' A' ' 37' ' ' LEU . 16.8 pt-20 -61.67 -44.68 96.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.441 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 3.1 m -93.32 124.68 37.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.45 ' ND1' HG21 ' A' ' 99' ' ' VAL . 7.4 t-80 -49.84 -32.52 14.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -80.37 -41.78 24.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.709 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -42.32 -30.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.468 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -85.6 -45.26 11.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.82 88.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -82.29 -10.89 58.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -86.26 -19.41 29.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 73' ' ' MET . 3.5 ptm180 -88.38 -44.18 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -53.87 -15.54 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -87.44 -38.7 15.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.421 HD21 ' HB ' ' A' ' 32' ' ' VAL . 5.6 mt -103.78 1.83 32.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.635 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -61.1 -52.12 73.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.822 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.8 Cg_endo -69.76 3.0 3.02 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.371 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.69 33.44 85.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.5 mtt-85 -72.7 -48.46 38.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mp -92.29 142.35 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -122.06 157.07 32.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.598 HD12 HG21 ' A' ' 84' ' ' ILE . 97.6 mt -109.07 116.99 33.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.592 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.5 m-90 58.16 41.06 24.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.71 8.71 60.92 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -108.58 137.13 47.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 0.0 110.851 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.68 139.46 57.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.598 HG21 HD12 ' A' ' 79' ' ' LEU . 2.6 pp -134.42 153.39 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.53 146.52 42.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.743 HG12 ' CD1' ' A' ' 13' ' ' ILE . 3.5 m -110.49 138.24 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -137.39 151.5 48.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.433 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 17.8 m95 -70.58 115.65 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.08 -62.41 1.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -82.23 137.29 45.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.664 0.745 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -50.1 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.395 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -157.96 115.04 2.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.731 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -103.03 -175.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.731 ' H ' HG22 ' A' ' 93' ' ' ILE . 0.7 OUTLIER -94.27 38.17 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.833 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.524 HG12 HG23 ' A' ' 99' ' ' VAL . 28.3 m -87.63 -37.74 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -39.01 -60.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.404 ' HG3' ' CG ' ' A' ' 98' ' ' ASP . 13.3 pt-20 -66.89 -48.52 68.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.404 ' CG ' ' HG3' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -157.63 139.02 13.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.524 HG23 HG12 ' A' ' 95' ' ' VAL . 14.5 p -124.79 -41.66 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.442 ' N ' HG13 ' A' ' 99' ' ' VAL . 13.7 ptp -95.05 176.56 6.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -116.73 126.14 52.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 58.3 p -62.82 172.87 1.51 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.3 t -138.98 121.2 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.7 p -166.76 158.61 13.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.54 77.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.95 61.53 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.677 2.251 . . . . 0.0 112.321 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.1 p -129.41 96.89 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.5 t -167.64 150.56 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -139.41 136.84 35.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -95.43 106.93 19.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.59 149.85 14.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -152.55 169.13 23.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t -71.51 135.54 47.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.15 -84.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -118.95 148.19 43.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.802 0.334 . . . . 0.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.487 ' SG ' ' HB3' ' A' ' 65' ' ' ALA . 1.8 t -98.06 121.03 39.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -140.77 133.26 28.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.461 ' CD2' ' HB1' ' A' ' 65' ' ' ALA . 32.5 mt -94.64 133.99 37.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.582 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 48.1 t80 -84.97 102.37 13.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.561 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 6.3 mm -102.16 115.67 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.8 143.38 14.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.462 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.93 36.94 2.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.526 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.539 HD11 ' C ' ' A' ' 54' ' ' PHE . 24.7 pt -113.8 153.75 45.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.736 . . . . 0.0 111.129 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 144.39 53.87 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 19' ' ' MET . 33.6 mttt -71.79 -54.01 11.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 18' ' ' LYS . 14.8 ptp -34.94 -37.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -62.48 176.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -142.89 167.68 21.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.663 ' HA ' HD12 ' A' ' 25' ' ' ILE . 29.4 ptt180 -56.68 -46.15 81.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -50.81 -39.98 54.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.88 -51.34 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 22' ' ' ARG . 16.9 mt -48.12 -56.31 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.442 ' HA ' HG21 ' A' ' 39' ' ' VAL . 4.4 tp -42.39 -63.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -47.21 -55.23 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.722 ' O ' HG13 ' A' ' 32' ' ' VAL . 25.2 mm-40 -54.03 -22.08 9.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.083 HG22 HG11 ' A' ' 36' ' ' VAL . 21.9 mm -90.13 -40.64 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.81 -13.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -104.48 -49.55 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.951 HG23 HG23 ' A' ' 33' ' ' THR . 6.0 m -65.35 -30.02 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.951 HG23 HG23 ' A' ' 32' ' ' VAL . 62.8 p -141.24 112.23 7.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -84.15 127.54 33.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.42 8.21 6.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 1.083 HG11 HG22 ' A' ' 29' ' ' ILE . 2.1 m -78.31 155.19 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.3 tp -113.46 -49.45 2.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -163.22 161.19 24.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.442 HG21 ' HA ' ' A' ' 26' ' ' LEU . 18.0 t -120.75 142.81 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.5 mp -121.3 146.14 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.3 p -121.23 139.4 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -110.3 141.09 43.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -173.48 144.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -51.84 -26.54 10.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' ASP . . . -127.06 176.82 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.099 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.74 81.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 45' ' ' ALA . 1.5 p-10 37.82 41.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 13.3 tttp -48.74 178.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -65.54 -14.44 61.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -92.95 19.88 7.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -39.09 120.53 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -38.97 157.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.0 42.6 3.09 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.647 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.6 OUTLIER -154.04 169.2 24.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 110.818 -179.826 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.647 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -155.96 158.53 38.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.065 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.26 129.98 55.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.838 HG11 HG21 ' A' ' 29' ' ' ILE . 2.2 t -117.01 104.78 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -83.02 139.79 33.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.88 ' CE2' HG12 ' A' ' 36' ' ' VAL . 84.1 m-85 -124.99 128.99 49.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.586 ' HB3' HD13 ' A' ' 37' ' ' LEU . 14.3 pt-20 -56.57 -48.38 77.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.557 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 44.8 t -90.15 115.27 27.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -42.9 -28.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -84.42 -41.69 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.557 ' HB2' ' HB3' ' A' ' 61' ' ' SER . . . -41.06 -33.42 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.487 ' HB3' ' SG ' ' A' ' 9' ' ' CYS . . . -82.6 -44.61 15.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.66 -36.12 71.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -87.64 -26.08 23.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.594 ' HB1' ' HB ' ' A' ' 33' ' ' THR . . . -71.66 -35.62 70.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -74.93 -37.39 62.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 59.1 ttt180 -60.2 -10.41 4.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -98.57 -33.07 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.523 HD23 HD13 ' A' ' 77' ' ' ILE . 19.0 mt -98.04 -4.87 35.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.65 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -59.01 -51.47 81.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.526 0.679 . . . . 0.0 110.9 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.65 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.4 Cg_endo -69.82 4.07 2.43 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.245 . . . . 0.0 112.348 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.97 22.48 48.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.454 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -64.51 -23.44 67.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.523 HD13 HD23 ' A' ' 72' ' ' LEU . 4.6 mp -109.9 137.67 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -120.18 136.97 54.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 28' ' ' GLU . 85.5 mt -96.35 117.13 30.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.544 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.3 m-90 59.67 37.83 22.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.78 2.58 65.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.47 137.34 46.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.683 0.278 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -73.56 150.62 41.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.551 HG21 HD12 ' A' ' 79' ' ' LEU . 2.0 pp -139.31 163.11 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -133.18 148.32 52.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.085 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.545 HG22 ' HA ' ' A' ' 73' ' ' MET . 31.2 m -114.22 133.14 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.083 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -135.31 156.7 48.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -79.76 95.06 5.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.81 -57.33 6.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.413 ' HG3' HD11 ' A' ' 93' ' ' ILE . 10.4 pt-20 -51.62 123.27 23.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.737 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.232 . . . . 0.0 112.35 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -155.27 111.63 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.747 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -90.89 -178.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.747 ' H ' HG22 ' A' ' 93' ' ' ILE . 13.4 t0 -94.82 32.74 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.577 HG13 ' HB ' ' A' ' 93' ' ' ILE . 17.0 m -56.35 -25.3 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -62.69 -48.39 79.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -90.72 -55.76 3.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -130.11 104.71 7.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 100' ' ' MET . 13.4 p -100.42 -43.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.486 ' N ' HG13 ' A' ' 99' ' ' VAL . 14.4 ptt? -96.94 172.34 7.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -129.24 154.71 46.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.1 t -141.12 -176.76 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.8 p -79.62 139.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.1 m -128.52 123.48 33.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.86 117.72 1.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 116.58 4.62 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.388 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.2 m -79.85 100.44 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 t 43.33 48.13 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -117.63 106.72 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.3 m -87.08 -51.22 6.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.7 -75.0 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -144.05 144.14 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.82 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -110.75 110.74 21.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.88 -138.04 7.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -116.62 135.49 53.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 65' ' ' ALA . 1.8 t -106.88 121.18 43.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -128.13 130.04 47.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.682 HD12 ' CE1' ' A' ' 59' ' ' TYR . 56.9 mt -93.64 136.11 34.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -84.9 101.8 12.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 18.1 mm -100.67 102.46 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.61 147.99 17.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.491 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.13 47.95 2.52 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.531 HD11 ' C ' ' A' ' 54' ' ' PHE . 13.4 pt -126.44 152.81 74.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.593 0.711 . . . . 0.0 111.148 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HD2' ' CZ3' ' A' ' 80' ' ' TRP . 53.6 Cg_endo -69.79 130.38 19.2 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 19' ' ' MET . 56.2 mttt -69.19 -44.39 72.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 18' ' ' LYS . 8.3 ptp -36.25 -38.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 45.8 mmtt -63.31 175.91 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.57 155.53 43.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.676 ' HA ' HD12 ' A' ' 25' ' ' ILE . 13.1 ptm180 -47.33 -37.44 11.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.95 -38.73 92.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -72.74 -43.57 62.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 22' ' ' ARG . 24.4 mt -55.82 -58.61 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.563 ' HA ' HG21 ' A' ' 39' ' ' VAL . 4.2 tp -40.79 -54.14 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.06 -61.25 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.615 ' HB3' HD22 ' A' ' 79' ' ' LEU . 29.2 mm-40 -47.84 -20.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.774 HG22 HG11 ' A' ' 36' ' ' VAL . 6.1 mm -93.61 -39.23 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.62 -12.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -100.37 -52.11 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.976 HG23 HG23 ' A' ' 33' ' ' THR . 5.0 m -65.03 -23.81 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.976 HG23 HG23 ' A' ' 32' ' ' VAL . 52.1 p -145.74 120.47 9.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -93.18 129.15 39.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.11 15.69 4.17 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.889 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.5 m -83.34 155.91 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -114.21 -49.42 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -162.6 163.98 26.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.563 HG21 ' HA ' ' A' ' 26' ' ' LEU . 13.6 t -120.96 138.16 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.9 mp -111.69 146.68 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 41' ' ' VAL . 8.7 p -126.11 126.98 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -102.31 166.45 10.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -167.08 170.55 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 t -57.78 -54.02 51.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.85 -62.13 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -156.92 162.51 39.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 5.9 p-10 -48.79 107.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -145.36 179.87 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.9 ttm -64.85 -14.97 61.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -96.24 20.97 9.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -50.2 -178.54 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -92.51 164.07 13.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.69 52.27 2.76 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.635 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.8 OUTLIER -165.76 169.47 15.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 -179.852 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.635 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -156.44 160.96 40.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.404 ' CE1' ' HZ ' ' A' ' 54' ' ' PHE . 5.8 m-85 -115.59 140.83 48.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.773 HG11 HG21 ' A' ' 29' ' ' ILE . 2.6 t -124.39 110.45 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -88.8 114.83 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.889 ' CE2' HG12 ' A' ' 36' ' ' VAL . 57.1 m-85 -95.09 142.99 26.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.537 ' HB3' HD13 ' A' ' 37' ' ' LEU . 15.1 pt-20 -60.46 -50.19 74.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 31.0 t -100.67 126.81 47.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -48.48 -28.51 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.496 ' HD2' ' N ' ' A' ' 64' ' ' ALA . 2.7 tmm_? -74.31 -52.08 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.651 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -44.14 -22.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.525 ' HB3' ' SG ' ' A' ' 9' ' ' CYS . . . -90.56 -42.83 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -60.89 -42.31 97.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -81.19 -25.73 36.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -66.88 -29.82 69.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 73' ' ' MET . 1.8 ptp180 -77.7 -43.69 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -55.77 -13.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -91.67 -32.02 15.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.682 HD12 HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -110.16 4.64 21.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.636 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 4.8 ttm -65.9 -52.15 43.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.574 0.702 . . . . 0.0 110.839 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.5 Cg_endo -69.71 2.09 3.81 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.466 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . 64.51 34.42 89.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -74.82 -34.16 62.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.32 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.487 ' O ' HD11 ' A' ' 84' ' ' ILE . 5.1 mp -111.17 144.33 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 75' ' ' GLY . 29.0 mm-40 -122.38 171.49 9.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.665 HD12 HG21 ' A' ' 84' ' ' ILE . 90.6 mt -121.23 113.9 20.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.577 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.8 m-90 61.27 31.83 19.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.48 0.21 83.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.09 133.3 44.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.852 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -60.66 136.31 58.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.665 HG21 HD12 ' A' ' 79' ' ' LEU . 2.6 pp -131.31 153.43 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.16 147.5 47.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.682 HG11 HD12 ' A' ' 72' ' ' LEU . 19.7 m -113.09 127.68 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.47 158.48 39.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.458 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 19.6 m95 -78.35 100.06 6.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -44.75 -71.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -90.27 113.49 57.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.16 109.36 3.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.742 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -86.8 -177.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.742 ' H ' HG22 ' A' ' 93' ' ' ILE . 5.4 m-20 -94.42 37.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 96' ' ' ASP . 29.6 m -74.82 -44.13 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.468 ' N ' HG23 ' A' ' 95' ' ' VAL . 19.7 t70 -43.1 -42.82 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -83.95 -59.98 2.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.53 107.05 9.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.4 p -127.4 -37.68 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.03 170.93 3.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -143.3 112.68 6.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.2 p -104.8 152.61 22.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.1 t -132.24 129.08 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.6 t -145.76 148.46 32.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 147.02 73.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 147.94 63.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.65 2.233 . . . . 0.0 112.322 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 43.4 t -120.94 81.72 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 m -70.49 130.57 42.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -86.78 94.53 9.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.0 p -56.88 162.7 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.69 149.34 17.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.547 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 m -54.81 159.87 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 p -91.36 130.3 37.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.99 -127.32 0.95 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.538 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -74.5 128.89 36.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 m -132.38 123.14 26.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -134.66 146.95 50.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.595 HD12 ' CE1' ' A' ' 59' ' ' TYR . 91.0 mt -104.27 141.28 36.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.57 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 59.7 t80 -84.95 102.15 12.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.59 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 15.6 mm -100.02 110.2 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.4 154.7 16.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.96 26.07 13.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.514 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.445 HD11 ' C ' ' A' ' 54' ' ' PHE . 35.3 pt -98.71 152.79 38.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 111.113 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.473 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.4 Cg_endo -69.79 148.66 65.39 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' MET . 63.0 mttt -71.46 -57.17 4.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.8 ptp -37.72 -33.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -70.52 153.05 43.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -125.11 158.49 33.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.866 ' HA ' HD12 ' A' ' 25' ' ' ILE . 16.6 ptt85 -43.82 -46.96 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -45.84 -52.74 10.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.67 -44.66 77.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.866 HD12 ' HA ' ' A' ' 22' ' ' ARG . 43.9 mt -49.03 -53.02 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 tp -48.01 -63.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -48.62 -43.82 36.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.716 ' HB3' HD22 ' A' ' 79' ' ' LEU . 30.6 mm-40 -66.99 -20.66 65.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.07 HG22 HG11 ' A' ' 36' ' ' VAL . 8.2 mm -89.36 -41.8 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.57 -11.08 1.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -103.72 -48.8 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.948 HG23 HG23 ' A' ' 33' ' ' THR . 10.2 m -70.95 -23.8 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.948 HG23 HG23 ' A' ' 32' ' ' VAL . 44.4 p -145.75 109.5 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -83.36 129.53 35.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.12 4.87 8.29 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.512 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 1.07 HG11 HG22 ' A' ' 29' ' ' ILE . 2.0 m -74.09 154.73 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 60' ' ' GLU . 9.9 tp -114.51 -49.75 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -163.63 157.57 19.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 56' ' ' PHE . 55.6 t -113.79 138.11 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.39 139.13 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.2 p -116.37 135.02 57.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -102.62 117.25 34.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 46' ' ' ALA . . . -174.62 166.81 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.089 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.2 t -77.87 88.51 4.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 38.41 36.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.409 ' O ' ' HB1' ' A' ' 43' ' ' ALA . . . -170.21 121.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.75 38.42 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.22 -42.28 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 11.0 tpt -104.65 -53.32 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -67.74 -35.44 78.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -44.99 123.96 4.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.9 mtt-85 -73.09 -39.34 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.53 30.78 0.33 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -136.36 169.14 18.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.842 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.664 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -152.1 163.92 38.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.455 ' O ' HG13 ' A' ' 39' ' ' VAL . 6.7 m-85 -116.71 131.94 56.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.831 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.806 HG11 HG21 ' A' ' 29' ' ' ILE . 3.1 t -117.21 109.55 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -87.42 131.12 34.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.716 ' CE2' HG12 ' A' ' 36' ' ' VAL . 58.7 m-85 -114.17 133.02 55.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.648 ' HB3' HD13 ' A' ' 37' ' ' LEU . 13.2 pt-20 -61.7 -48.19 81.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.48 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 2.3 t -88.37 117.35 27.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -38.43 -37.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' ALA . 3.5 tpt180 -78.34 -44.51 24.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.616 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -36.6 -32.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.498 ' O ' HD11 ' A' ' 11' ' ' LEU . . . -83.94 -41.85 16.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -66.25 -51.11 60.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.1 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.6 ptp -70.59 -12.43 61.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -86.37 -36.56 19.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.576 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 0.9 OUTLIER -73.77 -37.38 65.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 13.9 ttm180 -61.24 -8.98 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -96.2 -31.63 12.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.626 HD12 HG11 ' A' ' 86' ' ' VAL . 1.2 mt -107.56 -3.58 19.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.633 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -53.77 -52.17 69.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.86 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.8 Cg_endo -69.73 -6.26 18.16 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.365 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.81 29.07 67.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -70.45 -27.75 64.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.308 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.53 HD13 HD23 ' A' ' 72' ' ' LEU . 5.0 mp -110.21 139.8 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -120.82 156.79 31.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.716 HD22 ' HB3' ' A' ' 28' ' ' GLU . 95.5 mt -110.84 117.37 33.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.54 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.6 m-90 57.99 35.08 24.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.25 3.74 77.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 11.8 m170 -103.44 134.44 46.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.711 0.291 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -65.29 134.16 53.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.636 HG21 HD12 ' A' ' 79' ' ' LEU . 2.8 pp -129.6 154.39 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.62 148.97 49.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.626 HG11 HD12 ' A' ' 72' ' ' LEU . 14.7 m -117.06 126.19 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -127.0 153.99 45.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.576 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 10.7 m95 -70.04 102.49 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.795 ' HB3' ' OE2' ' A' ' 90' ' ' GLU . . . -57.78 -53.15 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.048 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.795 ' OE2' ' HB3' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -154.18 125.77 3.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 110.905 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -50.63 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.733 2.288 . . . . 0.0 112.391 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -160.73 109.43 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.749 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -92.44 -177.02 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.749 ' H ' HG22 ' A' ' 93' ' ' ILE . 12.4 t0 -94.55 37.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.513 HG13 ' HB ' ' A' ' 93' ' ' ILE . 26.2 m -65.52 -35.41 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -50.16 -52.5 34.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.47 -50.97 16.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.28 124.97 11.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.427 HG13 ' HG3' ' A' ' 100' ' ' MET . 7.5 p -120.41 -39.78 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.427 ' HG3' HG13 ' A' ' 99' ' ' VAL . 33.8 mtp -96.55 167.29 11.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.64 80.21 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 61.9 p -79.26 126.75 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.5 p -108.8 -27.94 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.168 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 81.0 p -172.3 167.99 5.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -151.05 66.85 0.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 167.38 24.53 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.245 . . . . 0.0 112.347 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.4 t -136.7 144.03 43.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.4 p -68.34 -18.27 64.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -92.72 132.03 37.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.809 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -46.49 160.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.85 160.41 11.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 m -119.31 101.6 8.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 p -155.44 115.08 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.12 -61.62 2.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.495 ' HB3' HG21 ' A' ' 95' ' ' VAL . 6.6 t-20 -48.95 108.75 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.836 0.351 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 9' ' ' CYS . 1.8 p -138.02 126.15 22.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.724 ' HD3' HD12 ' A' ' 40' ' ' ILE . 35.9 mtm180 -129.76 150.27 51.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.42 HD12 ' CE1' ' A' ' 59' ' ' TYR . 11.8 mt -105.0 137.45 42.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.517 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 60.3 t80 -84.75 102.2 12.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 8.6 mm -103.06 114.48 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.4 145.04 15.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.1 17.27 16.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.0 pt -93.18 151.12 40.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 111.154 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.9 Cg_endo -69.73 133.08 24.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -62.27 -50.51 71.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.48 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 19.8 ptp -37.98 -37.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' CD ' ' HG3' ' A' ' 19' ' ' MET . 6.4 mptt -65.75 155.88 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -118.78 164.36 15.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.698 ' HA ' HD12 ' A' ' 25' ' ' ILE . 20.8 ptt180 -53.16 -43.76 67.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.1 -37.79 62.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.67 -50.63 12.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 22' ' ' ARG . 19.8 mt -47.24 -55.19 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -44.37 -56.27 4.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -58.65 -50.98 71.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.724 ' CG ' HD22 ' A' ' 79' ' ' LEU . 4.7 tp10 -56.61 -21.28 25.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.943 HG21 HG11 ' A' ' 57' ' ' VAL . 10.3 mm -92.5 -40.86 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.37 -11.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -103.37 -48.28 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.763 HG22 ' HA ' ' A' ' 29' ' ' ILE . 27.0 m -68.86 -29.42 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.699 HG23 HG23 ' A' ' 32' ' ' VAL . 69.2 p -140.22 112.75 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -85.22 130.65 34.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.62 18.05 4.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.869 HG11 HG22 ' A' ' 29' ' ' ILE . 1.5 m -87.48 158.38 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.665 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.7 tp -115.64 -48.25 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -163.56 170.32 17.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.76 139.78 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.724 HD12 ' HD3' ' A' ' 10' ' ' ARG . 17.5 mt -121.77 132.04 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 41' ' ' VAL . 8.7 p -119.94 120.48 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -105.99 138.37 42.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.465 ' HB1' ' ND2' ' A' ' 51' ' ' ASN . . . -138.83 134.45 33.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 43' ' ' ALA . 77.4 p -35.62 -49.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.5 -50.93 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 47' ' ' ASP . . . -169.63 132.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -38.14 115.14 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -169.88 165.83 9.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.8 mtp -58.24 -21.43 48.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -87.98 20.63 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.465 ' ND2' ' HB1' ' A' ' 43' ' ' ALA . 14.0 m120 -124.02 179.93 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -62.85 169.25 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.66 78.99 0.28 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.621 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -157.9 167.39 30.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.621 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -154.48 157.59 38.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.404 ' CE1' ' HZ ' ' A' ' 54' ' ' PHE . 7.1 m-85 -110.33 140.67 44.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.943 HG11 HG21 ' A' ' 29' ' ' ILE . 2.3 t -126.11 107.1 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.27 134.35 33.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.868 ' CE2' HG12 ' A' ' 36' ' ' VAL . 51.7 m-85 -114.8 137.41 51.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.665 ' HB3' HD13 ' A' ' 37' ' ' LEU . 16.6 pt-20 -62.77 -49.08 76.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.588 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 58.6 m -86.77 119.93 27.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -45.79 -34.01 3.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 63' ' ' ARG . 0.4 OUTLIER -79.53 -40.71 28.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.588 ' HB2' ' HB2' ' A' ' 61' ' ' SER . . . -43.6 -41.14 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.576 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . . . -75.92 -30.63 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.81 -37.43 67.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -86.54 -30.96 21.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' A' ' 33' ' ' THR . . . -59.57 -41.32 89.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' MET . 3.0 ppt_? -69.89 -37.46 76.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -60.48 -9.28 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -98.31 -29.91 12.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.569 HD11 ' CG2' ' A' ' 33' ' ' THR . 4.6 mt -108.09 -2.62 19.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.662 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -55.52 -51.16 82.35 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 110.91 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.662 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.76 3.65 2.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.9 23.04 50.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.496 ' NE ' ' HB2' ' A' ' 74' ' ' PRO . 3.0 mpt_? -65.79 -38.64 89.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.482 HD13 HD23 ' A' ' 72' ' ' LEU . 4.7 mp -92.46 134.81 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -115.5 146.91 41.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.893 HD12 HG21 ' A' ' 84' ' ' ILE . 95.8 mt -103.42 112.73 25.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 2.7 m-90 58.76 30.93 20.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.94 2.79 90.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.493 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 11.8 m170 -105.35 129.13 53.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -63.79 142.27 58.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.893 HG21 HD12 ' A' ' 79' ' ' LEU . 2.4 pp -135.19 152.95 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.86 138.15 46.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.087 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.525 HG12 ' CD1' ' A' ' 13' ' ' ILE . 15.6 m -106.75 130.37 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -134.41 155.3 50.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -72.02 105.82 4.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.441 ' O ' ' CD ' ' A' ' 90' ' ' GLU . . . -56.39 -57.91 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.058 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 89' ' ' ALA . 27.0 mp0 -160.1 140.58 8.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.737 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -50.69 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.332 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -162.87 108.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.744 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -98.09 -178.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.744 ' H ' HG22 ' A' ' 93' ' ' ILE . 19.3 m-20 -94.53 34.95 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.495 HG21 ' HB3' ' A' ' 8' ' ' ASN . 15.5 m -52.99 -23.61 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -55.99 -50.61 70.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -83.05 -57.38 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -127.99 116.06 19.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.2 p -119.32 -28.36 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.115 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -104.73 165.8 10.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -134.43 136.17 43.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.5 p -110.63 161.23 15.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.4 t -119.87 -55.54 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.1 p -58.66 96.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -99.78 157.44 19.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 107' ' ' SER . 54.0 Cg_endo -69.77 101.67 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' PRO . 58.5 m 35.56 42.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.7 t -69.06 -45.01 71.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.802 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -131.97 137.77 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.797 HD12 ' CE1' ' A' ' 59' ' ' TYR . 66.3 mt -97.37 136.72 37.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.517 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 60.1 t80 -85.23 102.17 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.59 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 22.1 mm -101.36 107.17 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.86 146.4 18.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.44 53.63 0.99 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.447 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.5 pt -137.8 150.69 68.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.657 0.741 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.466 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 54.2 Cg_endo -69.78 139.89 41.24 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -67.5 -29.35 68.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.6 ptp -47.58 -21.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.501 ' HE3' ' CG ' ' A' ' 80' ' ' TRP . 26.3 mmtt -93.01 154.87 17.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLU . 4.9 mtmm -122.67 153.09 39.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.51 ' HA ' HD12 ' A' ' 25' ' ' ILE . 16.7 ptt85 -34.73 -33.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' LYS . 12.4 mt-10 -61.19 -48.89 79.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 21' ' ' LYS . 29.2 mm-40 -70.11 -49.9 46.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.689 HD13 ' HB2' ' A' ' 55' ' ' ALA . 34.1 mt -46.95 -56.03 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.645 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.6 tp -43.51 -54.91 4.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.78 -63.68 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.76 ' HB3' HD22 ' A' ' 79' ' ' LEU . 1.2 mp0 -46.63 -21.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.898 HG21 HG11 ' A' ' 57' ' ' VAL . 10.1 mm -91.6 -39.23 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.23 -12.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -103.07 -49.47 3.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.006 HG23 HG23 ' A' ' 33' ' ' THR . 5.8 m -65.61 -29.55 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 1.006 HG23 HG23 ' A' ' 32' ' ' VAL . 30.4 p -140.22 121.32 14.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -91.79 127.67 37.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.65 14.75 4.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.912 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.7 m -84.8 132.45 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.747 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.6 tp -90.16 -50.88 5.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -162.26 162.59 28.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.645 HG21 ' HA ' ' A' ' 26' ' ' LEU . 25.6 t -116.51 138.84 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.624 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.689 ' HB2' HD13 ' A' ' 25' ' ' ILE . . . -155.83 156.49 34.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.503 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.5 m-85 -108.06 137.44 46.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.898 HG11 HG21 ' A' ' 29' ' ' ILE . 2.5 t -122.37 110.89 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -87.59 129.49 35.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.912 ' CE2' HG12 ' A' ' 36' ' ' VAL . 77.4 m-85 -111.85 127.27 55.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.747 ' HB3' HD13 ' A' ' 37' ' ' LEU . 13.6 pt-20 -53.06 -49.83 65.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.572 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 9.6 t -88.82 122.63 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -46.22 -33.06 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 65' ' ' ALA . 9.3 tpp85 -81.45 -42.67 20.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.65 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -39.61 -27.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.605 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -91.68 -39.77 11.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -62.89 -38.72 92.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -88.97 -12.08 42.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -84.27 -22.37 30.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.066 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 73' ' ' MET . 18.8 ptt85 -82.92 -37.56 24.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -62.36 -7.91 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -94.47 -30.13 14.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.441 HD21 ' HB ' ' A' ' 32' ' ' VAL . 6.6 mt -109.51 -6.42 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.639 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -54.1 -51.98 72.56 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.927 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.76 -2.27 9.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.43 28.31 73.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -71.38 -30.18 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.5 ' O ' HD11 ' A' ' 84' ' ' ILE . 4.7 mp -107.76 129.69 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -113.41 153.86 27.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.76 HD22 ' HB3' ' A' ' 28' ' ' GLU . 96.8 mt -107.44 116.28 31.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.8 m-90 59.67 29.12 18.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.21 1.36 90.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.458 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -103.06 134.58 46.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.81 141.84 58.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.654 HG21 HD12 ' A' ' 79' ' ' LEU . 2.4 pp -133.73 154.12 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.89 144.86 50.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.509 HG12 ' CD1' ' A' ' 13' ' ' ILE . 20.7 m -112.15 127.86 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -130.53 155.09 47.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -72.73 107.44 5.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.844 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.857 0.361 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -134.49 138.42 44.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.458 HD11 ' HB3' ' A' ' 68' ' ' ALA . 50.8 mt -94.54 138.69 32.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.653 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 58.2 t80 -85.56 102.67 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.586 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 23.1 mm -97.8 106.16 18.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -116.41 147.74 18.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.18 31.92 6.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.6 pt -105.52 151.37 39.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.646 0.736 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.57 17.83 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 19' ' ' MET . 38.3 mttt -58.44 -53.9 53.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.456 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 24.0 ptp -35.87 -40.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.456 ' CD ' ' HG3' ' A' ' 19' ' ' MET . 7.2 mptt -64.46 151.88 43.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.56 -179.07 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.458 ' HA ' HD12 ' A' ' 25' ' ' ILE . 24.7 ptt180 -68.78 -46.39 68.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -51.59 -37.46 49.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -74.99 -49.61 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 22' ' ' ARG . 18.0 mt -54.83 -45.1 74.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.605 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.9 tp -54.0 -56.14 20.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -60.93 -40.89 94.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.536 ' HB3' HD22 ' A' ' 79' ' ' LEU . 19.1 mm-40 -66.74 -17.9 65.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.723 HG22 HG11 ' A' ' 36' ' ' VAL . 9.6 mm -97.02 -38.42 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.28 -10.71 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -100.16 -47.54 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.666 HG23 HG23 ' A' ' 33' ' ' THR . 30.3 m -71.31 -26.85 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.666 HG23 HG23 ' A' ' 32' ' ' VAL . 41.0 p -142.62 112.36 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -86.21 134.12 33.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' HA3' ' HB1' ' A' ' 64' ' ' ALA . . . 121.44 7.41 8.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.915 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.5 m -77.05 159.41 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 111.169 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.75 HD13 ' HB3' ' A' ' 60' ' ' GLU . 9.9 tp -120.62 -49.16 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -161.25 147.91 14.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 56' ' ' PHE . 70.1 t -111.35 133.92 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.653 ' CE2' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.642 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -155.02 153.66 31.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.658 ' O ' HG13 ' A' ' 39' ' ' VAL . 6.5 m-85 -107.28 147.84 29.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.72 HG11 HG21 ' A' ' 29' ' ' ILE . 8.0 t -130.31 107.16 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -83.89 121.6 27.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.915 ' CE2' HG12 ' A' ' 36' ' ' VAL . 83.6 m-85 -104.93 126.86 52.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.75 ' HB3' HD13 ' A' ' 37' ' ' LEU . 15.7 pt-20 -56.09 -47.02 78.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.568 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 9.3 t -90.31 119.6 30.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -44.33 -35.17 2.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -79.04 -41.1 29.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.718 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -42.75 -26.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . . . -91.81 -42.9 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.421 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -59.22 -48.46 81.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.3 ptp -79.14 -14.38 59.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -82.62 -23.58 34.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.569 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 2.9 ptm180 -83.86 -39.33 20.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -63.3 -8.09 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -95.23 -32.52 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.611 HD23 HD13 ' A' ' 77' ' ' ILE . 13.7 mt -106.01 -3.1 22.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.648 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -56.34 -51.83 77.87 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.568 0.699 . . . . 0.0 110.882 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.0 Cg_endo -69.79 3.31 2.86 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.672 2.248 . . . . 0.0 112.364 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.43 27.7 61.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.0 mmt-85 -68.23 -33.48 74.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.611 HD13 HD23 ' A' ' 72' ' ' LEU . 4.6 mp -99.5 135.21 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -118.79 145.03 45.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.809 HD12 HG21 ' A' ' 84' ' ' ILE . 39.8 mt -103.44 121.31 42.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.569 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 3.5 m-90 55.38 35.37 24.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.82 4.79 77.75 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -107.14 136.01 47.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -69.29 148.49 49.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.809 HG21 HD12 ' A' ' 79' ' ' LEU . 2.5 pp -142.3 152.92 18.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.86 145.22 51.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.547 HG12 HD13 ' A' ' 13' ' ' ILE . 18.9 m -113.21 127.18 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -128.68 154.28 46.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.569 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 18.0 m95 -69.88 107.03 3.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 179.88 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.7 mtm-85 -138.15 147.34 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.401 HD12 ' CE1' ' A' ' 59' ' ' TYR . 19.8 mt -107.93 136.57 47.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.458 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 42.9 t80 -85.94 102.55 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CD1' HG12 ' A' ' 86' ' ' VAL . 9.9 mm -101.36 117.97 47.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.06 148.56 17.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.65 -5.22 47.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.461 HG22 HG21 ' A' ' 84' ' ' ILE . 13.7 pt -72.5 147.38 89.73 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.637 0.732 . . . . 0.0 111.115 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 54.0 Cg_endo -69.72 121.4 8.1 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.391 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -57.34 -34.28 68.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.0 ptp -43.57 -24.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.458 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 38.6 mmtt -84.57 178.5 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -133.88 175.29 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -61.65 -33.92 74.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.34 -40.31 89.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -73.99 -53.84 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.1 mt -44.31 -55.87 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.489 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.9 tp -45.0 -56.98 4.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -49.37 -53.05 24.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.701 ' HB3' HD22 ' A' ' 79' ' ' LEU . 13.2 mm-40 -60.6 -18.63 54.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.068 HG22 HG11 ' A' ' 36' ' ' VAL . 10.8 mm -89.19 -39.66 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.02 -12.48 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -103.84 -48.92 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.019 HG23 HG23 ' A' ' 33' ' ' THR . 4.8 m -66.65 -30.88 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 1.019 HG23 HG23 ' A' ' 32' ' ' VAL . 65.9 p -134.22 117.49 16.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -89.46 113.78 25.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.53 13.38 2.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 1.068 HG11 HG22 ' A' ' 29' ' ' ILE . 1.3 m -80.81 147.6 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.689 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.2 tp -102.55 -50.08 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.435 ' HA ' HD13 ' A' ' 26' ' ' LEU . 5.5 m-20 -162.69 174.33 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 56' ' ' PHE . 24.7 t -128.31 141.14 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.853 0.359 . . . . 0.0 110.865 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.57 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -155.0 152.64 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.49 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.2 m-85 -102.2 140.58 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.654 ' CG1' HG21 ' A' ' 29' ' ' ILE . 2.3 t -124.58 104.75 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -86.33 129.14 34.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.898 ' CE2' HG12 ' A' ' 36' ' ' VAL . 84.1 m-85 -114.04 134.38 54.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.689 ' HB3' HD13 ' A' ' 37' ' ' LEU . 11.3 pt-20 -59.37 -49.24 78.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.2 t -90.8 122.26 33.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -48.7 -24.97 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 66' ' ' ALA . 23.9 tpp180 -85.65 -44.05 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -39.74 -34.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.401 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . . . -83.57 -38.49 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.064 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.468 ' HA ' ' CH2' ' A' ' 88' ' ' TRP . . . -61.48 -42.82 99.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.08 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -83.66 -12.95 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -83.96 -42.34 16.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.635 ' O ' HG21 ' A' ' 86' ' ' VAL . 8.0 ppt_? -65.19 -36.43 84.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.481 ' N ' ' HD2' ' A' ' 69' ' ' ARG . 24.0 ptt85 -70.9 -8.43 52.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -94.34 -31.04 14.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.792 HD23 HD13 ' A' ' 77' ' ' ILE . 6.4 mt -107.17 3.4 25.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.635 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -63.24 -51.91 65.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.565 0.697 . . . . 0.0 110.9 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.8 Cg_endo -69.73 -3.73 12.58 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.71 25.5 74.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -65.98 -26.72 67.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.792 HD13 HD23 ' A' ' 72' ' ' LEU . 4.8 mp -110.79 141.24 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -123.82 143.27 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 28' ' ' GLU . 96.5 mt -101.39 118.09 36.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.577 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.3 m-90 60.03 35.89 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.62 1.32 65.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -107.41 139.05 42.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.829 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.24 153.88 42.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.532 HG21 HD12 ' A' ' 79' ' ' LEU . 2.2 pp -143.98 160.86 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.95 149.28 50.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.635 HG21 ' O ' ' A' ' 69' ' ' ARG . 20.7 m -122.48 123.24 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -129.17 149.63 50.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.468 ' CH2' ' HA ' ' A' ' 66' ' ' ALA . 17.0 m95 -64.74 109.41 2.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.909 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 62' ' ' HIS . 4.3 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 mtt85 -131.52 137.12 48.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.462 HD12 ' CE1' ' A' ' 59' ' ' TYR . 18.8 mt -93.9 140.85 29.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.519 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 55.8 t80 -85.99 102.1 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.587 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 12.0 mm -102.16 108.75 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.11 155.54 16.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.64 46.56 4.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.482 HD11 ' C ' ' A' ' 54' ' ' PHE . 45.1 pt -118.71 151.95 50.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.575 0.702 . . . . 0.0 111.139 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.43 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.3 Cg_endo -69.81 148.68 65.27 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -84.94 -15.76 43.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.3 ptp -83.66 9.65 11.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -114.8 128.38 56.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -87.99 150.7 23.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.744 ' HA ' HD12 ' A' ' 25' ' ' ILE . 10.8 ptt85 -42.76 -45.93 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.17 -38.19 7.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -81.08 -40.41 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 22' ' ' ARG . 53.3 mt -55.42 -47.9 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.557 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.7 tp -51.27 -62.45 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -45.15 -56.71 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.816 ' O ' HG13 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -51.16 -27.01 7.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.001 HG22 HG11 ' A' ' 36' ' ' VAL . 26.5 mm -86.26 -40.76 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.29 -14.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -104.11 -49.24 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.021 HG23 HG23 ' A' ' 33' ' ' THR . 4.2 m -64.5 -30.44 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 1.021 HG23 HG23 ' A' ' 32' ' ' VAL . 51.6 p -141.13 114.22 8.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -85.16 127.69 34.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.25 10.59 6.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 1.001 HG11 HG22 ' A' ' 29' ' ' ILE . 1.6 m -80.17 158.14 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 111.105 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.561 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -115.37 -48.66 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.439 ' HA ' HD13 ' A' ' 26' ' ' LEU . 11.0 t0 -164.36 160.95 21.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.557 HG21 ' HA ' ' A' ' 26' ' ' LEU . 41.7 t -119.41 136.44 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 5.0 t80 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.848 0.356 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.527 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -146.77 162.68 38.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.464 ' O ' HG13 ' A' ' 39' ' ' VAL . 5.9 m-85 -116.65 137.98 51.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.867 HG11 HG21 ' A' ' 29' ' ' ILE . 3.1 t -121.61 107.2 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -85.8 122.73 30.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.945 ' CE2' HG12 ' A' ' 36' ' ' VAL . 70.4 m-85 -105.96 142.86 34.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.561 ' HB3' HD13 ' A' ' 37' ' ' LEU . 14.5 pt-20 -65.49 -50.4 65.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.7 t -96.38 124.3 40.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.586 ' CD2' ' SG ' ' A' ' 9' ' ' CYS . 8.9 t-80 -47.2 -31.57 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 tpp85 -73.64 -49.25 26.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.569 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -41.41 -33.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.2 -35.11 18.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.45 80.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -89.82 -28.11 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -64.69 -39.69 94.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.602 ' O ' HG21 ' A' ' 86' ' ' VAL . 5.0 ptm180 -63.78 -52.69 59.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 ttt85 -48.57 -19.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -79.34 -53.59 6.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.765 HD12 HG11 ' A' ' 86' ' ' VAL . 1.2 mt -90.66 7.44 39.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.636 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 6.5 ttm -63.9 -52.13 59.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.832 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.2 Cg_endo -69.8 -4.36 13.89 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.71 26.67 68.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.437 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.4 mmm-85 -67.93 -39.24 83.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.459 HD13 HD23 ' A' ' 72' ' ' LEU . 4.3 mp -100.38 148.37 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -130.07 160.92 32.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.705 HD22 ' HB3' ' A' ' 28' ' ' GLU . 65.2 mt -115.79 119.31 35.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.587 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 3.7 m-90 54.18 45.0 28.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.08 2.75 14.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.43 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 20.1 m170 -101.6 132.66 47.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.743 0.306 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -64.9 130.82 44.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.438 HG21 HD12 ' A' ' 79' ' ' LEU . 2.8 pp -124.84 158.26 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.12 145.99 42.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.765 HG11 HD12 ' A' ' 72' ' ' LEU . 15.8 m -113.15 131.2 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -141.61 163.18 33.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.433 ' NE1' ' CZ ' ' A' ' 69' ' ' ARG . 19.1 m95 -74.32 135.81 42.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.884 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.805 0.336 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -144.53 138.19 27.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 68' ' ' ALA . 32.2 mt -98.63 140.45 32.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.523 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 47.1 t80 -88.34 104.78 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.539 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 10.5 mm -102.37 118.68 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.157 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.57 144.7 15.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.46 37.83 3.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.418 ' CD1' ' HB2' ' A' ' 55' ' ' ALA . 25.1 pt -118.2 151.48 49.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 111.111 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 130.33 19.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.238 . . . . 0.0 112.36 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 19' ' ' MET . 28.1 mttt -64.19 -49.95 70.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 18' ' ' LYS . 5.2 ptp -34.44 -38.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -59.93 170.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -130.63 150.27 51.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -39.8 -42.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 13.0 pt-20 -54.46 -51.18 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.486 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 4.6 mp0 -62.63 -48.46 79.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.4 mt -53.78 -56.67 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.049 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 tp -43.86 -57.34 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -51.28 -55.69 16.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.785 ' O ' HG13 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -54.71 -23.0 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.969 HG22 HG11 ' A' ' 36' ' ' VAL . 12.8 mm -87.72 -40.03 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.39 -14.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -104.27 -50.21 3.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.992 HG23 HG23 ' A' ' 33' ' ' THR . 4.0 m -64.56 -29.28 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.992 HG23 HG23 ' A' ' 32' ' ' VAL . 41.6 p -141.12 116.22 9.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -87.57 128.19 35.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.79 16.68 4.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.969 HG11 HG22 ' A' ' 29' ' ' ILE . 1.2 m -85.02 151.8 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.624 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.2 tp -109.56 -50.59 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -164.33 162.78 22.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 56' ' ' PHE . 15.4 t -115.66 147.32 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.0 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.096 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.626 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.626 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -157.52 153.56 27.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.418 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.4 m-85 -105.08 134.98 47.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.78 HG11 HG21 ' A' ' 29' ' ' ILE . 2.4 t -120.28 102.32 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -82.87 135.33 34.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.864 ' CE2' HG12 ' A' ' 36' ' ' VAL . 81.5 m-85 -120.24 134.13 55.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.624 ' HB3' HD13 ' A' ' 37' ' ' LEU . 13.6 pt-20 -54.71 -48.85 71.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.2 p -100.84 125.55 47.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -48.0 -30.93 4.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.3 tpp180 -73.19 -44.94 59.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.637 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -46.24 -27.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.13 -40.18 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.2 91.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.0 ptp -86.9 -18.48 30.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -75.51 -40.31 57.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -68.75 -46.92 67.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.476 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 12.0 ttt85 -52.7 -16.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -88.38 -38.62 14.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.561 HD23 HD13 ' A' ' 77' ' ' ILE . 2.7 mt -100.84 0.98 39.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.637 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -58.29 -52.08 77.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.539 0.685 . . . . 0.0 110.862 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.76 3.22 2.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.242 . . . . 0.0 112.333 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.51 18.6 63.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.5 mtp-105 -60.11 -34.6 73.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.745 0.307 . . . . 0.0 110.824 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.561 HD13 HD23 ' A' ' 72' ' ' LEU . 2.8 mp -98.73 144.61 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -128.02 150.57 49.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.747 HD12 HG21 ' A' ' 84' ' ' ILE . 79.1 mt -109.56 115.75 30.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.563 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.3 m-90 58.62 39.31 24.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.24 3.55 57.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -103.74 132.05 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -66.0 138.7 57.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.747 HG21 HD12 ' A' ' 79' ' ' LEU . 2.5 pp -130.86 154.72 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.42 138.99 45.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.508 HG12 ' CD1' ' A' ' 13' ' ' ILE . 16.6 m -104.76 135.48 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -137.87 151.98 48.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.436 ' O ' ' C ' ' A' ' 89' ' ' ALA . 5.1 m95 -70.21 102.11 2.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -125.99 136.24 52.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 11' ' ' LEU . 18.1 mt -95.93 137.11 35.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.418 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 34.2 t80 -85.11 103.97 14.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.535 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 11.8 mm -101.81 117.5 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.28 136.28 9.05 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.545 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.58 -0.41 24.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.411 HG22 HG21 ' A' ' 84' ' ' ILE . 6.7 pt -77.78 145.63 70.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.63 0.729 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.452 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.8 Cg_endo -69.82 122.27 8.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.242 . . . . 0.0 112.372 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' LYS . 28.5 mttt -57.16 -34.43 68.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.45 ' CG ' ' HE2' ' A' ' 20' ' ' LYS . 5.6 ptp -43.48 -22.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HE3' ' CG ' ' A' ' 80' ' ' TRP . 32.4 mmtt -85.52 -177.73 6.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.65 155.27 45.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.487 ' HA ' HD12 ' A' ' 25' ' ' ILE . 27.5 ptt180 -42.87 -40.71 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.52 -39.65 88.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -75.94 -46.64 28.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 22' ' ' ARG . 30.1 mt -52.32 -54.05 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 tp -44.39 -60.39 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -50.12 -50.22 49.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.598 ' HB3' HD22 ' A' ' 79' ' ' LEU . 32.0 mm-40 -62.2 -14.79 41.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.042 HG22 HG11 ' A' ' 36' ' ' VAL . 19.9 mm -95.86 -38.93 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.5 -12.87 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.94 -52.03 3.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.939 HG23 HG23 ' A' ' 33' ' ' THR . 4.1 m -66.17 -23.24 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.939 HG23 HG23 ' A' ' 32' ' ' VAL . 70.7 p -145.47 110.02 5.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -84.65 127.46 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.25 14.0 5.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 1.042 HG11 HG22 ' A' ' 29' ' ' ILE . 1.3 m -83.03 155.38 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 111.104 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.522 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.0 tp -113.56 -49.6 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -164.21 155.52 15.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 56' ' ' PHE . 11.4 t -114.21 137.82 46.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.904 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.647 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.834 0.35 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.647 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -158.4 152.06 23.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.432 ' O ' HG13 ' A' ' 39' ' ' VAL . 10.9 m-85 -100.65 139.61 36.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.664 HG11 HG21 ' A' ' 29' ' ' ILE . 2.3 t -125.15 100.86 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -84.05 136.13 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.893 ' CE2' HG12 ' A' ' 36' ' ' VAL . 65.7 m-85 -119.94 136.62 54.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.522 ' HB3' HD13 ' A' ' 37' ' ' LEU . 15.9 pt-20 -55.31 -46.45 76.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 56.4 p -106.34 122.03 45.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -46.43 -24.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -75.73 -44.14 43.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -49.49 -31.02 9.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.68 -42.23 18.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.03 82.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -75.56 -29.06 59.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -65.34 -53.6 41.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.529 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 6.0 ptm180 -57.37 -39.96 77.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.414 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 7.5 ttm105 -62.29 -8.92 6.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -100.12 -25.17 14.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.698 HD23 HD13 ' A' ' 77' ' ' ILE . 1.2 mt -112.43 1.69 16.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.636 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -60.15 -51.99 76.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 110.849 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.1 Cg_endo -69.77 -2.25 9.86 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.8 28.77 73.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -68.19 -32.8 73.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.698 HD13 HD23 ' A' ' 72' ' ' LEU . 5.0 mp -100.13 137.56 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -118.11 140.77 49.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.769 HD12 HG21 ' A' ' 84' ' ' ILE . 71.5 mt -101.11 118.74 37.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.56 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.0 m-90 60.39 35.39 20.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.79 1.99 68.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -108.63 137.79 45.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.742 0.306 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.42 154.24 42.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.769 HG21 HD12 ' A' ' 79' ' ' LEU . 2.2 pp -144.28 156.71 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.99 137.73 53.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.694 HG11 HD12 ' A' ' 72' ' ' LEU . 15.6 m -113.15 119.21 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 88' ' ' TRP . 1.9 t70 -124.86 162.73 23.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.529 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 21.5 m95 -76.48 101.47 5.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.089 179.885 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.8 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -134.1 137.99 44.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.629 HD12 ' CE1' ' A' ' 59' ' ' TYR . 35.6 mt -98.98 139.22 34.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.505 ' CD1' ' CE2' ' A' ' 54' ' ' PHE . 62.7 t80 -85.24 102.13 13.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 21.3 mm -101.06 102.33 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.09 154.23 16.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.22 64.91 1.44 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.421 HD11 ' C ' ' A' ' 54' ' ' PHE . 19.8 pt -142.47 153.7 62.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.4 Cg_endo -69.8 142.6 48.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' LYS . 28.9 mttt -76.42 -40.95 49.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.6 ptp -38.62 -26.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' LYS . 32.0 mmtt -76.11 -174.81 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -144.04 158.23 43.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.444 ' HA ' HD12 ' A' ' 25' ' ' ILE . 26.5 ptt180 -49.46 -38.2 28.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.4 -40.94 85.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.64 -46.64 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 22' ' ' ARG . 25.4 mt -52.08 -48.95 41.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.638 ' HA ' HG21 ' A' ' 39' ' ' VAL . 4.0 tp -43.41 -59.84 1.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -49.07 -61.79 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.76 ' O ' HG13 ' A' ' 32' ' ' VAL . 16.0 mm-40 -45.81 -26.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.015 HG21 HG11 ' A' ' 57' ' ' VAL . 18.5 mm -87.97 -39.75 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.61 -13.05 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -103.77 -49.25 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.028 HG23 HG23 ' A' ' 33' ' ' THR . 3.9 m -64.8 -31.69 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 1.028 HG23 HG23 ' A' ' 32' ' ' VAL . 44.8 p -139.75 115.52 10.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -86.1 126.88 34.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.82 12.73 4.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.978 HG11 HG22 ' A' ' 29' ' ' ILE . 2.3 m -83.45 135.6 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.2 tp -92.2 -51.54 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -164.15 160.18 21.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.638 HG21 ' HA ' ' A' ' 26' ' ' LEU . 89.6 t -111.37 136.33 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.683 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.852 0.358 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.683 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -160.56 155.39 24.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.623 ' O ' HG13 ' A' ' 39' ' ' VAL . 36.3 m-85 -101.61 135.21 43.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.015 HG11 HG21 ' A' ' 29' ' ' ILE . 2.5 t -122.47 110.47 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -83.25 143.13 30.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.886 ' CE2' HG12 ' A' ' 36' ' ' VAL . 74.9 m-85 -126.01 126.07 43.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.631 ' HB3' HD13 ' A' ' 37' ' ' LEU . 11.5 pt-20 -53.78 -48.0 70.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 2.2 t -91.69 120.47 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -44.46 -33.48 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 65' ' ' ALA . 21.2 tpp180 -79.77 -43.36 22.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.719 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -40.52 -27.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.433 ' HB1' ' HG ' ' A' ' 11' ' ' LEU . . . -91.59 -43.71 9.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -59.27 -45.82 90.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -79.33 -23.04 43.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -69.76 -29.99 67.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HA ' HG21 ' A' ' 86' ' ' VAL . 10.4 ptt180 -78.62 -36.03 44.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -62.01 -8.45 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -99.27 -23.65 15.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.724 HD12 HG11 ' A' ' 86' ' ' VAL . 1.6 mt -116.91 1.37 12.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.635 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -60.67 -52.0 75.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.836 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.3 Cg_endo -69.85 -7.01 19.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.62 28.76 62.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -67.04 -36.95 83.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.448 HD13 HD23 ' A' ' 72' ' ' LEU . 4.3 mp -101.49 146.88 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -126.51 153.61 44.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 28' ' ' GLU . 80.7 mt -108.48 120.14 41.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.4 m-90 54.48 35.66 23.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.38 9.35 81.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -110.07 135.61 50.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.9 137.22 58.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.619 HG21 HD12 ' A' ' 79' ' ' LEU . 2.7 pp -130.9 154.35 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.66 147.01 50.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.724 HG11 HD12 ' A' ' 72' ' ' LEU . 17.4 m -116.79 125.13 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -131.66 166.38 21.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -79.45 112.28 16.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.1 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 58' ' ' GLU . 30.5 mtm180 -142.97 141.63 31.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 68' ' ' ALA . 42.6 mt -95.23 142.03 28.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.644 ' CD1' ' CE2' ' A' ' 54' ' ' PHE . 52.9 t80 -85.92 102.13 13.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.602 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 10.9 mm -100.51 105.32 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.83 146.33 18.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.63 46.21 3.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.519 HG22 HG21 ' A' ' 84' ' ' ILE . 48.9 pt -117.59 151.99 49.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.66 0.743 . . . . 0.0 111.082 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 54.0 Cg_endo -69.7 126.76 13.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -64.82 -39.38 93.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.9 ptp -41.5 -36.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 33.3 mmtt -76.35 173.54 11.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -134.05 165.65 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -47.83 -32.47 6.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.457 ' N ' ' HG2' ' A' ' 22' ' ' ARG . 14.9 pt-20 -68.9 -32.43 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -84.02 -37.03 22.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.5 mt -64.97 -55.25 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.554 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.6 tp -41.12 -54.25 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -53.6 -65.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.886 ' HB3' HD22 ' A' ' 79' ' ' LEU . 40.9 mm-40 -45.93 -21.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.98 HG22 HG11 ' A' ' 36' ' ' VAL . 10.6 mm -90.58 -41.5 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.39 -13.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.81 -50.29 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.999 HG23 HG23 ' A' ' 33' ' ' THR . 5.8 m -64.03 -30.99 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.999 HG23 HG23 ' A' ' 32' ' ' VAL . 38.9 p -137.67 117.35 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -89.13 119.28 29.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.82 16.25 1.83 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.989 HG12 ' CE2' ' A' ' 59' ' ' TYR . 2.5 m -85.16 157.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.863 0.364 . . . . 0.0 111.133 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.655 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -115.34 -48.65 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.467 ' HA ' HD13 ' A' ' 26' ' ' LEU . 27.9 t70 -164.42 161.36 21.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' A' ' 26' ' ' LEU . 21.7 t -121.33 137.6 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.8 mp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.644 ' CE2' ' CD1' ' A' ' 12' ' ' PHE . 6.7 t80 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.567 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -145.11 152.18 39.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -111.75 110.17 20.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.677 HG11 HG21 ' A' ' 29' ' ' ILE . 5.2 t -97.45 107.55 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.462 ' HA ' ' CG ' ' A' ' 10' ' ' ARG . 2.4 tt0 -86.57 117.93 25.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.989 ' CE2' HG12 ' A' ' 36' ' ' VAL . 88.7 m-85 -103.01 131.95 49.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.655 ' HB3' HD13 ' A' ' 37' ' ' LEU . 15.3 pt-20 -59.41 -48.45 81.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t -92.66 123.07 35.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -47.96 -30.68 4.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -78.95 -44.68 21.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.662 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -42.11 -27.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.545 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -88.91 -43.55 11.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.02 -48.17 82.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -76.28 -20.7 57.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -73.25 -46.07 52.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.525 ' HA ' HG21 ' A' ' 86' ' ' VAL . 4.9 ptm180 -63.39 -37.06 85.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -62.2 -8.06 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -98.07 -34.93 10.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.476 HD23 HD13 ' A' ' 77' ' ' ILE . 6.2 mt -104.83 4.92 32.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.643 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -61.1 -52.11 74.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.5 Cg_endo -69.77 -5.56 16.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.45 24.95 76.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -66.44 -31.46 72.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.476 HD13 HD23 ' A' ' 72' ' ' LEU . 3.9 mp -100.71 139.69 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -123.02 146.02 48.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.886 HD22 ' HB3' ' A' ' 28' ' ' GLU . 75.9 mt -107.83 118.5 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.546 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.9 m-90 60.37 35.3 20.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.54 1.4 65.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 15.4 m170 -105.34 138.11 42.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -73.77 142.91 46.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.519 HG21 HG22 ' A' ' 16' ' ' ILE . 2.3 pp -136.02 160.52 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.87 155.29 48.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.525 HG21 ' HA ' ' A' ' 69' ' ' ARG . 14.5 m -123.33 120.95 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -125.71 170.91 11.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -83.63 104.33 13.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 179.909 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.8 0.334 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -137.51 140.23 41.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.596 HD12 ' CE1' ' A' ' 59' ' ' TYR . 24.2 mt -98.32 136.82 37.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.465 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 49.6 t80 -85.52 102.3 13.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.6 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 11.2 mm -100.12 115.62 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.1 143.69 16.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.12 45.73 2.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 pt -121.59 151.02 56.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 0.0 111.089 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.6 Cg_endo -69.73 130.08 18.75 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.686 2.258 . . . . 0.0 112.336 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' H ' ' CD ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -68.3 -44.47 75.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 18' ' ' LYS . 21.0 ptp -34.97 -38.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 43.7 mmtt -64.65 -176.96 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -140.52 159.91 41.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -48.18 -44.49 32.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.18 -35.63 71.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.09 -52.85 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.3 mt -49.09 -48.27 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.43 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.5 tp -51.45 -59.93 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -49.23 -43.36 42.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.623 ' HB3' HD22 ' A' ' 79' ' ' LEU . 35.5 mm-40 -65.52 -23.85 66.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.08 HG22 HG11 ' A' ' 36' ' ' VAL . 15.7 mm -86.21 -40.6 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.26 -13.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt -104.66 -50.09 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.82 HG23 HG23 ' A' ' 33' ' ' THR . 10.5 m -67.41 -24.85 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.82 HG23 HG23 ' A' ' 32' ' ' VAL . 58.2 p -145.14 114.73 7.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -86.4 128.48 34.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.14 13.87 5.23 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 1.08 HG11 HG22 ' A' ' 29' ' ' ILE . 1.7 m -85.34 155.86 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.775 HD13 ' HB3' ' A' ' 60' ' ' GLU . 9.9 tp -114.92 -49.25 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -160.22 160.6 32.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 56' ' ' PHE . 19.4 t -123.24 132.47 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.638 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.871 0.367 . . . . 0.0 110.909 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.638 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -158.39 151.49 22.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.449 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.3 m-85 -101.11 141.04 34.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.781 HG11 HG21 ' A' ' 29' ' ' ILE . 2.7 t -126.42 104.27 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.159 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -83.21 133.97 34.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.917 ' CE2' HG12 ' A' ' 36' ' ' VAL . 89.8 m-85 -117.66 128.0 54.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.775 ' HB3' HD13 ' A' ' 37' ' ' LEU . 16.8 pt-20 -58.57 -44.55 89.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.674 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 3.4 t -88.99 123.29 33.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.427 ' O ' ' ND1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -47.87 -32.83 6.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -83.9 -41.45 17.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.674 ' HB2' ' HB3' ' A' ' 61' ' ' SER . . . -37.36 -36.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.77 -45.89 20.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.03 72.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -87.79 -24.05 23.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -73.67 -30.84 63.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.589 ' CZ ' ' CE ' ' A' ' 73' ' ' MET . 0.1 OUTLIER -81.23 -46.72 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.458 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -52.04 -19.27 1.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -86.42 -45.44 11.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.537 HD11 ' CG2' ' A' ' 33' ' ' THR . 4.1 mt -89.33 -3.23 58.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.638 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 3.3 ttt -59.13 -51.84 78.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.601 0.715 . . . . 0.0 110.927 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.76 3.46 2.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.12 26.42 63.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -67.45 -30.41 70.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.432 HD13 HD23 ' A' ' 72' ' ' LEU . 5.0 mp -106.3 147.42 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -129.42 145.96 51.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.794 HD12 HG21 ' A' ' 84' ' ' ILE . 65.9 mt -102.21 116.29 32.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.4 m-90 59.35 36.95 23.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.16 3.99 71.54 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -107.6 134.42 50.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.723 0.297 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -68.05 148.6 50.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.794 HG21 HD12 ' A' ' 79' ' ' LEU . 2.2 pp -138.47 155.45 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.48 144.1 51.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.475 HG12 ' CD1' ' A' ' 13' ' ' ILE . 28.4 m -112.84 133.06 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -137.04 154.67 50.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -70.1 112.46 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.063 179.879 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.851 0.358 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -144.9 142.73 30.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.568 HD21 ' HB1' ' A' ' 65' ' ' ALA . 60.9 mt -102.57 141.74 34.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.445 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 37.4 t80 -88.42 102.22 14.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.76 ' CD1' HG12 ' A' ' 86' ' ' VAL . 19.7 mm -101.91 111.93 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.76 154.11 17.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.92 -9.92 51.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.571 HD11 ' C ' ' A' ' 54' ' ' PHE . 13.6 pt -67.9 151.58 97.08 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 0.0 111.159 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.523 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.7 Cg_endo -69.74 138.57 38.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.294 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' LYS . 13.8 mtmt -65.63 -52.09 54.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.405 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 14.0 ptp -38.14 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 18' ' ' LYS . 9.0 mptt -72.64 152.5 41.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -109.39 172.43 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.707 ' HA ' HD12 ' A' ' 25' ' ' ILE . 7.9 ptm180 -61.93 -48.29 81.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -48.09 -42.7 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -69.94 -51.83 29.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 22' ' ' ARG . 30.3 mt -47.02 -56.56 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.508 ' HA ' HG21 ' A' ' 39' ' ' VAL . 4.0 tp -46.53 -62.25 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -52.09 -57.06 10.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.478 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 10.1 tp10 -53.05 -17.2 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.01 HG21 HG11 ' A' ' 57' ' ' VAL . 5.7 mm -94.76 -38.99 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.48 -12.94 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.478 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 1.8 ptpm? -97.39 -54.96 2.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.847 HG23 HG23 ' A' ' 33' ' ' THR . 34.8 m -63.54 -29.97 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.847 HG23 HG23 ' A' ' 32' ' ' VAL . 29.8 p -137.84 113.14 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -88.18 123.1 32.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.02 15.1 1.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.838 HG11 HG22 ' A' ' 29' ' ' ILE . 2.0 m -83.96 154.69 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.373 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.545 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.2 tp -112.9 -49.71 2.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -164.02 160.31 21.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.508 HG21 ' HA ' ' A' ' 26' ' ' LEU . 18.3 t -114.79 137.11 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.684 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.684 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -159.93 151.65 20.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -103.59 128.11 50.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.01 HG11 HG21 ' A' ' 29' ' ' ILE . 2.2 t -115.49 108.21 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -82.08 138.0 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.752 ' CE2' HG12 ' A' ' 36' ' ' VAL . 65.0 m-85 -120.3 129.76 54.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.545 ' HB3' HD13 ' A' ' 37' ' ' LEU . 12.6 pt-20 -55.39 -47.97 75.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 32.2 t -94.4 127.31 40.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -51.94 -26.71 11.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -83.26 -42.52 17.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.656 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -44.09 -27.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.568 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -88.14 -43.04 11.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.03 -52.12 66.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.8 ptp -71.35 -23.34 61.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -71.72 -44.16 64.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 73' ' ' MET . 4.4 ptm180 -66.59 -43.82 83.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -54.51 -14.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -89.17 -40.64 12.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.537 HD23 HD13 ' A' ' 77' ' ' ILE . 4.8 mt -100.0 1.22 42.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.631 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -58.28 -52.23 76.07 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.72 0.97 4.85 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.733 2.288 . . . . 0.0 112.316 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.57 33.26 86.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -73.93 -33.5 63.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.537 HD13 HD23 ' A' ' 72' ' ' LEU . 4.9 mp -103.26 139.06 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -117.34 147.58 42.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.665 HD12 HG21 ' A' ' 84' ' ' ILE . 81.5 mt -102.92 114.53 28.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.59 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 2.7 m-90 58.53 41.7 22.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.9 7.04 58.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.523 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 10.4 m170 -109.15 138.16 45.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -67.17 143.5 56.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.665 HG21 HD12 ' A' ' 79' ' ' LEU . 2.6 pp -137.1 154.58 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -137.5 140.34 41.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.76 HG12 ' CD1' ' A' ' 13' ' ' ILE . 3.8 m -107.65 132.41 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -135.55 157.03 47.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -74.11 111.06 8.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.872 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.8 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.88 0.372 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.465 ' HG2' ' CA ' ' A' ' 58' ' ' GLU . 28.5 mtm105 -139.05 145.48 39.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.76 HD12 ' CE1' ' A' ' 59' ' ' TYR . 48.0 mt -98.61 139.79 33.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -85.21 102.07 13.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.6 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 17.0 mm -102.76 105.49 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.0 147.53 18.92 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.54 54.32 1.35 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.9 pt -137.29 149.63 66.37 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.631 0.729 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.491 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.7 Cg_endo -69.76 129.52 17.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.339 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' LYS . 39.0 mttt -59.27 -38.82 81.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.7 ptp -38.17 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.491 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 21.8 mmtt -70.97 172.7 8.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 24' ' ' GLU . 25.6 mtmt -138.13 143.32 40.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 21' ' ' LYS . 24.8 ptt180 -37.29 -37.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -65.06 -42.67 93.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 21' ' ' LYS . 3.8 mm-40 -73.85 -58.12 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.6 mt -39.58 -53.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.4 tp -43.26 -60.7 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -46.44 -54.81 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.602 ' O ' HG13 ' A' ' 32' ' ' VAL . 20.6 mm-40 -57.19 -19.25 19.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.795 HG21 HG11 ' A' ' 57' ' ' VAL . 21.8 mm -92.96 -37.76 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.191 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.52 -12.42 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -102.64 -46.47 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.988 HG23 HG23 ' A' ' 33' ' ' THR . 4.3 m -68.21 -29.32 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.988 HG23 HG23 ' A' ' 32' ' ' VAL . 43.3 p -140.25 115.32 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -87.61 122.21 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.441 ' HA3' ' HB1' ' A' ' 64' ' ' ALA . . . 127.56 16.74 2.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.971 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.4 m -84.63 156.61 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.662 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.9 tp -115.36 -49.78 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -164.32 169.15 17.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 t -122.02 145.67 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.404 HD12 ' HD3' ' A' ' 10' ' ' ARG . 16.7 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.553 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -150.1 155.83 40.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.405 ' CE1' ' HZ ' ' A' ' 54' ' ' PHE . 5.7 m-85 -108.25 133.15 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.795 HG11 HG21 ' A' ' 29' ' ' ILE . 4.4 t -117.41 106.2 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.465 ' CA ' ' HG2' ' A' ' 10' ' ' ARG . 4.9 tt0 -85.4 123.79 31.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.971 ' CE2' HG12 ' A' ' 36' ' ' VAL . 58.4 m-85 -106.27 141.06 38.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.662 ' HB3' HD13 ' A' ' 37' ' ' LEU . 12.3 pt-20 -66.89 -50.19 63.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.477 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 39.3 t -88.67 118.16 28.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -43.84 -34.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -76.89 -44.28 32.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.741 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -43.07 -31.85 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.447 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . . . -85.22 -43.68 13.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -59.66 -48.37 81.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -78.17 -13.26 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -81.31 -23.86 37.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.55 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 3.6 ptm180 -86.42 -40.53 15.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -60.06 -10.53 4.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -95.7 -34.58 11.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.628 HD12 HG11 ' A' ' 86' ' ' VAL . 5.8 mt -102.17 2.1 36.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.646 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -65.14 -51.51 54.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.864 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.78 3.55 2.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.2 30.03 76.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.497 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -69.25 -36.17 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.566 HD13 HD23 ' A' ' 72' ' ' LEU . 4.9 mp -103.87 146.55 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.486 ' NE2' ' HA ' ' A' ' 83' ' ' GLN . 24.6 mm-40 -123.35 161.09 25.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.637 HD12 HG21 ' A' ' 84' ' ' ILE . 39.6 mt -117.63 118.51 32.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.0 m-90 52.95 45.85 27.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.14 6.67 27.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -108.76 144.42 36.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.486 ' HA ' ' NE2' ' A' ' 78' ' ' GLN . 33.4 tt0 -69.66 149.55 47.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.637 HG21 HD12 ' A' ' 79' ' ' LEU . 2.5 pp -143.19 152.6 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.37 138.0 44.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.628 HG11 HD12 ' A' ' 72' ' ' LEU . 15.8 m -107.33 133.49 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.83 164.18 28.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.55 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 17.3 m95 -79.95 112.25 17.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.871 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 65' ' ' ALA . 1.8 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.763 0.316 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -137.95 135.01 35.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.62 HD12 ' CE1' ' A' ' 59' ' ' TYR . 33.8 mt -99.14 139.11 35.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -86.16 104.65 15.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.578 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 8.6 mm -104.55 111.98 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.33 145.86 16.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.52 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.47 37.89 4.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.416 HD11 ' C ' ' A' ' 54' ' ' PHE . 13.2 pt -111.23 152.57 43.89 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.662 0.744 . . . . 0.0 111.108 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 133.98 26.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' MET . 18.0 mttp -66.02 -50.7 63.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' LYS . 10.5 ptp -37.5 -35.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -62.92 167.72 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -126.44 165.52 18.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.808 ' HA ' HD12 ' A' ' 25' ' ' ILE . 34.9 ptt180 -58.89 -47.85 83.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 9.1 pt-20 -53.65 -31.26 46.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -81.12 -45.95 15.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 22' ' ' ARG . 19.0 mt -51.41 -54.83 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 38' ' ' ASP . 5.3 tp -46.31 -53.94 9.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.82 -60.36 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.635 ' O ' HG13 ' A' ' 32' ' ' VAL . 26.9 mm-40 -50.63 -22.29 1.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.955 HG22 HG11 ' A' ' 36' ' ' VAL . 8.5 mm -89.74 -37.86 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.54 -12.65 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.8 -51.19 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.041 HG23 HG23 ' A' ' 33' ' ' THR . 3.7 m -66.26 -30.53 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 1.041 HG23 HG23 ' A' ' 32' ' ' VAL . 50.9 p -134.3 113.22 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -87.85 124.15 33.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.04 10.79 5.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.955 HG11 HG22 ' A' ' 29' ' ' ILE . 1.1 m -80.37 151.84 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.143 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.675 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -109.3 -50.51 2.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.436 ' HA ' HD13 ' A' ' 26' ' ' LEU . 28.7 t70 -163.3 162.43 25.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 56' ' ' PHE . 10.5 t -116.56 137.7 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.606 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.606 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -153.07 157.16 40.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.454 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.0 m-85 -106.57 139.35 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.638 HG11 HG21 ' A' ' 29' ' ' ILE . 5.6 t -122.74 109.32 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -86.58 136.54 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.906 ' CE2' HG12 ' A' ' 36' ' ' VAL . 78.8 m-85 -122.78 128.63 50.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.675 ' HB3' HD13 ' A' ' 37' ' ' LEU . 11.7 pt-20 -56.34 -48.97 75.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.57 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 4.1 m -88.25 114.86 25.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -42.66 -30.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -82.98 -38.14 23.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.713 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -45.64 -27.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.067 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.495 ' O ' HD21 ' A' ' 11' ' ' LEU . . . -92.48 -37.02 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.6 93.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -89.43 -12.74 39.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -82.32 -18.42 42.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.424 ' O ' HG21 ' A' ' 86' ' ' VAL . 4.0 ptt-85 -82.23 -36.6 27.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -65.65 -8.3 19.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -95.89 -19.32 19.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.823 HD12 HG11 ' A' ' 86' ' ' VAL . 1.6 mt -124.06 4.51 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.635 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -65.76 -52.03 45.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.525 0.679 . . . . 0.0 110.883 179.816 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.79 -2.57 10.41 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.35 21.83 78.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -62.43 -34.68 77.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.74 147.85 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -127.99 150.06 50.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 28' ' ' GLU . 26.3 mt -103.55 113.01 26.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.5 m-90 59.46 37.88 22.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.71 3.25 66.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -105.97 133.13 51.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.718 0.294 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -61.48 141.28 57.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.99 154.67 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.85 144.79 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.146 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.823 HG11 HD12 ' A' ' 72' ' ' LEU . 13.5 m -118.78 125.25 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -139.49 164.83 28.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -68.8 127.06 31.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 179.935 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -137.78 144.31 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.551 HD12 ' CE1' ' A' ' 59' ' ' TYR . 34.2 mt -97.43 138.17 35.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 87' ' ' ASP . 34.3 t80 -84.98 102.15 12.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 24.0 mm -99.64 108.41 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.171 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.94 147.35 18.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.498 ' O ' HG22 ' A' ' 84' ' ' ILE . . . 92.1 60.36 1.26 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.2 pt -136.4 149.87 68.95 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 111.116 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.504 ' HD2' ' CE3' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.73 126.31 13.18 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 19' ' ' MET . 37.7 mttt -61.68 -45.18 95.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.7 ptp -33.5 -40.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 29.8 mmtt -63.97 -174.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.19 158.79 43.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.514 ' HA ' HD12 ' A' ' 25' ' ' ILE . 16.3 ptt180 -46.09 -43.99 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -56.99 -36.82 70.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -76.46 -51.55 11.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 22' ' ' ARG . 16.9 mt -49.48 -49.49 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.593 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.6 tp -49.99 -58.48 5.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -53.93 -54.14 42.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.568 ' HB3' HD22 ' A' ' 79' ' ' LEU . 1.1 mp0 -54.0 -19.65 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.718 HG22 HG11 ' A' ' 36' ' ' VAL . 7.0 mm -95.62 -36.98 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.82 -11.93 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.069 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.44 -50.33 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.941 HG23 HG23 ' A' ' 33' ' ' THR . 18.0 m -67.12 -33.89 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.941 HG23 HG23 ' A' ' 32' ' ' VAL . 34.5 p -135.06 112.82 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -87.07 133.9 33.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.22 2.72 10.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.864 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.4 m -69.97 153.64 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.589 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.2 tp -112.95 -48.79 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -162.87 160.55 25.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 56' ' ' PHE . 42.7 t -118.84 136.35 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.6 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.924 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.619 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.619 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -151.9 160.43 43.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.62 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.1 m-85 -112.28 141.33 46.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.681 HG11 HG21 ' A' ' 29' ' ' ILE . 3.4 t -127.01 108.26 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -86.36 123.46 31.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.864 ' CE2' HG12 ' A' ' 36' ' ' VAL . 80.7 m-85 -105.34 135.15 47.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.589 ' HB3' HD13 ' A' ' 37' ' ' LEU . 14.1 pt-20 -56.81 -51.86 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.8 m -94.24 131.96 39.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -56.3 -21.81 26.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -83.59 -43.9 15.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.701 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -46.43 -30.5 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.11 -42.94 15.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.49 -46.06 91.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.428 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 1.6 ptp -80.88 -12.53 59.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -85.46 -19.07 31.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 73' ' ' MET . 14.9 ptt85 -89.67 -41.13 12.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 67' ' ' MET . 2.6 ptp85 -58.6 -12.14 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -93.16 -31.68 14.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.471 ' HB2' ' CG1' ' A' ' 86' ' ' VAL . 7.6 mt -107.19 2.07 24.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.641 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -63.19 -51.9 65.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.887 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.74 1.26 4.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.71 28.07 72.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -69.35 -37.31 77.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.552 ' O ' HD11 ' A' ' 84' ' ' ILE . 4.4 mp -104.72 136.43 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 78' ' ' GLN . 23.0 mm-40 -116.61 169.33 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.584 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 92.5 mt -121.17 118.12 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.7 m-90 59.67 31.61 20.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.87 4.93 83.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -104.51 135.75 45.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.751 0.31 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.403 ' HA ' ' OE1' ' A' ' 78' ' ' GLN . 19.0 tt0 -59.84 139.3 57.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.552 HD11 ' O ' ' A' ' 77' ' ' ILE . 2.7 pp -136.35 153.52 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.96 139.94 36.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 13' ' ' ILE . 19.3 m -103.7 138.45 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.416 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . 11.3 m-20 -139.22 157.58 45.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -73.61 114.17 11.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.881 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.802 0.334 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -133.73 146.38 50.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 11' ' ' LEU . 18.8 mt -105.37 140.14 38.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.437 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 47.0 t80 -88.14 102.02 14.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.553 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 8.6 mm -100.92 111.2 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.32 150.94 17.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.95 28.29 8.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.638 HD11 ' C ' ' A' ' 54' ' ' PHE . 17.1 pt -106.41 153.44 40.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.669 0.747 . . . . 0.0 111.115 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 159.67 52.51 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.237 . . . . 0.0 112.331 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 20' ' ' LYS . 2.8 mptt -88.44 -55.63 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.3 ptp -38.13 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' LYS . 7.2 mptt -74.93 154.84 37.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -118.52 167.5 11.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.577 ' HA ' HD12 ' A' ' 25' ' ' ILE . 8.2 ptm180 -54.92 -47.04 74.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -47.55 -34.16 7.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -83.53 -43.75 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 22' ' ' ARG . 20.7 mt -58.91 -54.59 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.588 ' HA ' HG21 ' A' ' 39' ' ' VAL . 5.1 tp -44.36 -55.03 5.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -53.43 -64.0 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.86 ' HB3' HD22 ' A' ' 79' ' ' LEU . 35.5 mm-40 -45.25 -22.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.95 HG22 HG11 ' A' ' 36' ' ' VAL . 13.4 mm -90.23 -39.01 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.31 -14.22 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -104.32 -51.08 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 29' ' ' ILE . 18.7 m -65.76 -26.68 39.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.76 HG23 HG23 ' A' ' 32' ' ' VAL . 71.9 p -143.64 108.47 4.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -82.61 134.39 35.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.17 15.03 7.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.95 HG11 HG22 ' A' ' 29' ' ' ILE . 1.1 m -83.75 157.92 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.148 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -117.66 -48.3 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -164.16 158.53 19.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 56' ' ' PHE . 75.9 t -116.98 135.78 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.893 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.638 ' C ' HD11 ' A' ' 16' ' ' ILE . 1.3 t80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.865 0.365 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.638 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -157.53 152.7 25.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.647 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.6 m-85 -105.13 147.83 27.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.591 HG11 HG21 ' A' ' 29' ' ' ILE . 11.1 t -130.51 104.6 10.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -86.56 120.15 27.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.852 ' CE2' HG12 ' A' ' 36' ' ' VAL . 66.2 m-85 -104.2 135.04 46.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.682 ' HB3' HD13 ' A' ' 37' ' ' LEU . 16.2 pt-20 -60.81 -42.48 97.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.688 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 3.2 m -91.91 124.05 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -46.55 -33.66 4.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' ALA . 3.1 tpt180 -84.21 -40.77 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.688 ' HB2' ' HB2' ' A' ' 61' ' ' SER . . . -38.16 -26.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -91.87 -41.19 10.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -65.91 -42.85 89.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -82.27 -11.76 58.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -87.72 -27.31 22.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 73' ' ' MET . 12.0 ptt85 -78.13 -39.93 39.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -54.49 -14.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -91.6 -41.23 10.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.44 ' HB2' HG13 ' A' ' 86' ' ' VAL . 4.0 mt -98.15 5.65 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.642 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -64.68 -52.0 54.53 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.557 0.694 . . . . 0.0 110.875 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.9 Cg_endo -69.74 -9.6 26.5 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.04 31.55 61.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -73.41 -35.84 65.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.438 HD13 HD23 ' A' ' 72' ' ' LEU . 5.2 mp -96.52 138.54 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -120.8 146.65 46.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.86 HD22 ' HB3' ' A' ' 28' ' ' GLU . 31.8 mt -107.8 119.2 38.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.447 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.3 m-90 60.94 32.77 19.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.4 -1.28 71.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -103.58 136.43 43.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.718 0.294 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -70.15 146.68 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.779 HG21 HD12 ' A' ' 79' ' ' LEU . 2.2 pp -135.97 155.45 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.1 136.32 43.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.516 HG12 ' CD1' ' A' ' 13' ' ' ILE . 15.5 m -101.38 132.27 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.41 149.03 49.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 89' ' ' ALA . 6.1 m95 -63.68 104.77 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.8 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -133.04 135.21 45.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.531 HD12 ' CE1' ' A' ' 59' ' ' TYR . 26.3 mt -96.43 140.86 30.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.482 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 47.8 t80 -87.59 101.94 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 15.6 mm -99.31 104.88 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.71 157.97 14.59 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.27 45.33 5.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -121.74 151.59 57.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 111.085 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 128.57 16.19 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.653 2.235 . . . . 0.0 112.334 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 19' ' ' MET . 36.5 mttt -55.75 -54.39 45.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 18' ' ' LYS . 8.4 ptp -34.14 -42.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HE3' ' CD1' ' A' ' 80' ' ' TRP . 6.6 mptt -62.72 147.14 50.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -118.48 168.37 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -49.88 -40.05 41.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -53.42 -49.07 68.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -73.3 -49.37 27.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.5 mt -51.08 -57.11 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HA ' HG21 ' A' ' 39' ' ' VAL . 4.3 tp -45.21 -58.85 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.02 -39.77 82.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.554 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -67.46 -20.0 65.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.849 HG22 HG11 ' A' ' 36' ' ' VAL . 5.2 mm -95.67 -35.75 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.38 -7.28 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -100.97 -48.32 4.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.621 HG23 HG23 ' A' ' 33' ' ' THR . 25.4 m -72.27 -28.86 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.632 ' HB ' ' HB1' ' A' ' 68' ' ' ALA . 40.3 p -137.97 111.34 8.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -85.8 125.99 33.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.1 9.36 3.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.979 HG12 ' CE2' ' A' ' 59' ' ' TYR . 2.6 m -80.47 158.59 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 111.121 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.558 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.3 tp -118.03 -47.97 2.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -163.88 160.5 22.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.726 HG13 ' O ' ' A' ' 56' ' ' PHE . 90.0 t -118.13 137.32 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 179.904 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.868 0.366 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.605 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -153.85 155.92 36.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.726 ' O ' HG13 ' A' ' 39' ' ' VAL . 5.9 m-85 -109.83 146.12 35.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.707 HG11 HG21 ' A' ' 29' ' ' ILE . 4.2 t -129.01 112.05 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -87.87 115.04 25.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.979 ' CE2' HG12 ' A' ' 36' ' ' VAL . 71.6 m-85 -97.06 134.36 40.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.558 ' HB3' HD13 ' A' ' 37' ' ' LEU . 11.0 pt-20 -59.98 -49.42 77.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -91.49 121.18 32.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -46.1 -35.01 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -76.69 -42.75 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.707 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -42.64 -33.57 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.465 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -84.66 -42.16 15.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.13 91.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -82.05 -29.29 31.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -64.0 -33.83 76.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 73' ' ' MET . 20.4 ptt85 -73.88 -40.26 63.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.42 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 44.8 ttt-85 -56.65 -14.04 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -92.19 -30.53 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.431 HD21 ' HB ' ' A' ' 32' ' ' VAL . 15.2 mt -107.6 -0.27 22.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.646 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -61.08 -51.85 76.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.565 0.698 . . . . 0.0 110.925 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.9 Cg_endo -69.77 2.04 3.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.66 25.7 65.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.8 mtm105 -67.36 -33.03 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.515 HG21 HG11 ' A' ' 32' ' ' VAL . 4.0 mp -101.35 148.33 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -130.97 155.2 47.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.857 HD12 HG21 ' A' ' 84' ' ' ILE . 75.1 mt -112.92 122.87 48.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.1 m-90 53.71 40.05 30.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.97 6.43 56.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -105.32 136.64 44.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.723 0.297 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.28 133.32 49.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.857 HG21 HD12 ' A' ' 79' ' ' LEU . 2.8 pp -127.51 154.96 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.15 142.32 35.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 13' ' ' ILE . 15.9 m -106.01 133.52 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.427 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . 8.5 m-20 -133.69 156.74 47.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -75.44 110.55 9.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.0 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.765 0.317 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -141.39 142.57 33.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.534 HD12 ' CE1' ' A' ' 59' ' ' TYR . 41.2 mt -99.84 137.6 38.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -84.87 101.56 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.743 ' CD1' HG12 ' A' ' 86' ' ' VAL . 21.9 mm -100.87 108.32 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.81 150.53 18.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.22 52.06 2.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.437 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.5 pt -127.28 151.56 74.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 111.115 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 129.45 17.67 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -57.79 -45.61 85.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.435 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 9.9 ptp -46.67 -25.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.536 ' HG2' ' CD2' ' A' ' 80' ' ' TRP . 5.8 mptt -84.39 116.93 23.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.489 ' HE3' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -83.12 173.64 11.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.533 ' HA ' HD12 ' A' ' 25' ' ' ILE . 12.2 ptt85 -57.62 -39.59 77.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.49 -40.3 65.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.24 -46.84 21.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 22' ' ' ARG . 29.1 mt -54.11 -56.91 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.626 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.4 tp -44.22 -65.93 0.45 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -50.52 -46.69 57.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.554 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -61.8 -18.25 59.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.751 HG21 HG11 ' A' ' 57' ' ' VAL . 9.3 mm -96.31 -36.9 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.42 -7.77 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -101.49 -48.78 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.668 HG23 HG23 ' A' ' 33' ' ' THR . 27.3 m -71.28 -30.62 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.668 HG23 HG23 ' A' ' 32' ' ' VAL . 42.2 p -137.55 109.69 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.6 134.84 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.65 10.17 7.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.822 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.6 m -78.4 161.53 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 111.147 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.666 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -121.95 -48.38 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -164.32 146.75 8.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.626 HG21 ' HA ' ' A' ' 26' ' ' LEU . 53.0 t -110.16 131.27 61.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.914 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.615 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.94 0.4 . . . . 0.0 110.842 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.615 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -151.61 157.71 42.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.452 ' O ' HG13 ' A' ' 39' ' ' VAL . 5.0 m-85 -111.58 135.8 51.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.751 HG11 HG21 ' A' ' 29' ' ' ILE . 6.1 t -120.87 108.93 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -85.22 125.75 33.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.822 ' CE2' HG12 ' A' ' 36' ' ' VAL . 69.8 m-85 -108.6 133.52 52.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.666 ' HB3' HD13 ' A' ' 37' ' ' LEU . 16.8 pt-20 -61.67 -44.68 96.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.441 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 3.1 m -93.32 124.68 37.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -49.84 -32.52 14.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -80.37 -41.78 24.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.709 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -42.32 -30.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.468 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -85.6 -45.26 11.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.82 88.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -82.29 -10.89 58.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -86.26 -19.41 29.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 73' ' ' MET . 3.5 ptm180 -88.38 -44.18 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -53.87 -15.54 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -87.44 -38.7 15.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.421 HD21 ' HB ' ' A' ' 32' ' ' VAL . 5.6 mt -103.78 1.83 32.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.635 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -61.1 -52.12 73.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.8 Cg_endo -69.76 3.0 3.02 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.371 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.69 33.44 85.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.5 mtt-85 -72.7 -48.46 38.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mp -92.29 142.35 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -122.06 157.07 32.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.598 HD12 HG21 ' A' ' 84' ' ' ILE . 97.6 mt -109.07 116.99 33.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.592 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.5 m-90 58.16 41.06 24.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.71 8.71 60.92 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -108.58 137.13 47.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.68 139.46 57.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.598 HG21 HD12 ' A' ' 79' ' ' LEU . 2.6 pp -134.42 153.39 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.53 146.52 42.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.743 HG12 ' CD1' ' A' ' 13' ' ' ILE . 3.5 m -110.49 138.24 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -137.39 151.5 48.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.433 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 17.8 m95 -70.58 115.65 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.487 ' SG ' ' HB3' ' A' ' 65' ' ' ALA . 1.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.835 0.35 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -140.77 133.26 28.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.461 ' CD2' ' HB1' ' A' ' 65' ' ' ALA . 32.5 mt -94.64 133.99 37.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.582 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 48.1 t80 -84.97 102.37 13.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.561 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 6.3 mm -102.16 115.67 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.8 143.38 14.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.462 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.93 36.94 2.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.526 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.539 HD11 ' C ' ' A' ' 54' ' ' PHE . 24.7 pt -113.8 153.75 45.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.736 . . . . 0.0 111.129 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 144.39 53.87 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 19' ' ' MET . 33.6 mttt -71.79 -54.01 11.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 18' ' ' LYS . 14.8 ptp -34.94 -37.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -62.48 176.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -142.89 167.68 21.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.663 ' HA ' HD12 ' A' ' 25' ' ' ILE . 29.4 ptt180 -56.68 -46.15 81.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -50.81 -39.98 54.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.88 -51.34 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 22' ' ' ARG . 16.9 mt -48.12 -56.31 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.442 ' HA ' HG21 ' A' ' 39' ' ' VAL . 4.4 tp -42.39 -63.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -47.21 -55.23 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.722 ' O ' HG13 ' A' ' 32' ' ' VAL . 25.2 mm-40 -54.03 -22.08 9.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.083 HG22 HG11 ' A' ' 36' ' ' VAL . 21.9 mm -90.13 -40.64 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.81 -13.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -104.48 -49.55 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.951 HG23 HG23 ' A' ' 33' ' ' THR . 6.0 m -65.35 -30.02 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.951 HG23 HG23 ' A' ' 32' ' ' VAL . 62.8 p -141.24 112.23 7.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -84.15 127.54 33.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.42 8.21 6.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 1.083 HG11 HG22 ' A' ' 29' ' ' ILE . 2.1 m -78.31 155.19 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.3 tp -113.46 -49.45 2.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -163.22 161.19 24.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.442 HG21 ' HA ' ' A' ' 26' ' ' LEU . 18.0 t -120.75 142.81 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.5 mp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.647 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.909 0.385 . . . . 0.0 110.818 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.647 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -155.96 158.53 38.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.065 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.26 129.98 55.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.838 HG11 HG21 ' A' ' 29' ' ' ILE . 2.2 t -117.01 104.78 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -83.02 139.79 33.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.88 ' CE2' HG12 ' A' ' 36' ' ' VAL . 84.1 m-85 -124.99 128.99 49.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.586 ' HB3' HD13 ' A' ' 37' ' ' LEU . 14.3 pt-20 -56.57 -48.38 77.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.557 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 44.8 t -90.15 115.27 27.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -42.9 -28.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -84.42 -41.69 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.557 ' HB2' ' HB3' ' A' ' 61' ' ' SER . . . -41.06 -33.42 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.487 ' HB3' ' SG ' ' A' ' 9' ' ' CYS . . . -82.6 -44.61 15.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.66 -36.12 71.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -87.64 -26.08 23.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.594 ' HB1' ' HB ' ' A' ' 33' ' ' THR . . . -71.66 -35.62 70.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -74.93 -37.39 62.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 59.1 ttt180 -60.2 -10.41 4.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -98.57 -33.07 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.523 HD23 HD13 ' A' ' 77' ' ' ILE . 19.0 mt -98.04 -4.87 35.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.65 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -59.01 -51.47 81.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.526 0.679 . . . . 0.0 110.9 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.65 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.4 Cg_endo -69.82 4.07 2.43 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.245 . . . . 0.0 112.348 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.97 22.48 48.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.454 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -64.51 -23.44 67.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.523 HD13 HD23 ' A' ' 72' ' ' LEU . 4.6 mp -109.9 137.67 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -120.18 136.97 54.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 28' ' ' GLU . 85.5 mt -96.35 117.13 30.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.544 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.3 m-90 59.67 37.83 22.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.78 2.58 65.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -108.47 137.34 46.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.683 0.278 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -73.56 150.62 41.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.551 HG21 HD12 ' A' ' 79' ' ' LEU . 2.0 pp -139.31 163.11 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -133.18 148.32 52.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.085 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.545 HG22 ' HA ' ' A' ' 73' ' ' MET . 31.2 m -114.22 133.14 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.083 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -135.31 156.7 48.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -79.76 95.06 5.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 65' ' ' ALA . 1.8 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -128.13 130.04 47.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.682 HD12 ' CE1' ' A' ' 59' ' ' TYR . 56.9 mt -93.64 136.11 34.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -84.9 101.8 12.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 18.1 mm -100.67 102.46 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.61 147.99 17.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.491 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.13 47.95 2.52 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.531 HD11 ' C ' ' A' ' 54' ' ' PHE . 13.4 pt -126.44 152.81 74.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.593 0.711 . . . . 0.0 111.148 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HD2' ' CZ3' ' A' ' 80' ' ' TRP . 53.6 Cg_endo -69.79 130.38 19.2 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 19' ' ' MET . 56.2 mttt -69.19 -44.39 72.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 18' ' ' LYS . 8.3 ptp -36.25 -38.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 45.8 mmtt -63.31 175.91 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.57 155.53 43.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.676 ' HA ' HD12 ' A' ' 25' ' ' ILE . 13.1 ptm180 -47.33 -37.44 11.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.95 -38.73 92.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -72.74 -43.57 62.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 22' ' ' ARG . 24.4 mt -55.82 -58.61 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.563 ' HA ' HG21 ' A' ' 39' ' ' VAL . 4.2 tp -40.79 -54.14 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.06 -61.25 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.615 ' HB3' HD22 ' A' ' 79' ' ' LEU . 29.2 mm-40 -47.84 -20.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.774 HG22 HG11 ' A' ' 36' ' ' VAL . 6.1 mm -93.61 -39.23 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.62 -12.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -100.37 -52.11 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.976 HG23 HG23 ' A' ' 33' ' ' THR . 5.0 m -65.03 -23.81 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.976 HG23 HG23 ' A' ' 32' ' ' VAL . 52.1 p -145.74 120.47 9.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -93.18 129.15 39.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.11 15.69 4.17 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.889 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.5 m -83.34 155.91 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.537 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -114.21 -49.42 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -162.6 163.98 26.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.563 HG21 ' HA ' ' A' ' 26' ' ' LEU . 13.6 t -120.96 138.16 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.9 mp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.635 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.635 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -156.44 160.96 40.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.404 ' CE1' ' HZ ' ' A' ' 54' ' ' PHE . 5.8 m-85 -115.59 140.83 48.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.773 HG11 HG21 ' A' ' 29' ' ' ILE . 2.6 t -124.39 110.45 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -88.8 114.83 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.889 ' CE2' HG12 ' A' ' 36' ' ' VAL . 57.1 m-85 -95.09 142.99 26.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.537 ' HB3' HD13 ' A' ' 37' ' ' LEU . 15.1 pt-20 -60.46 -50.19 74.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 31.0 t -100.67 126.81 47.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -48.48 -28.51 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.496 ' HD2' ' N ' ' A' ' 64' ' ' ALA . 2.7 tmm_? -74.31 -52.08 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.651 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -44.14 -22.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.525 ' HB3' ' SG ' ' A' ' 9' ' ' CYS . . . -90.56 -42.83 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -60.89 -42.31 97.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -81.19 -25.73 36.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -66.88 -29.82 69.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 73' ' ' MET . 1.8 ptp180 -77.7 -43.69 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -55.77 -13.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -91.67 -32.02 15.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.682 HD12 HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -110.16 4.64 21.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.636 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 4.8 ttm -65.9 -52.15 43.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.574 0.702 . . . . 0.0 110.839 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.5 Cg_endo -69.71 2.09 3.81 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.466 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . 64.51 34.42 89.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -74.82 -34.16 62.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.32 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.487 ' O ' HD11 ' A' ' 84' ' ' ILE . 5.1 mp -111.17 144.33 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 75' ' ' GLY . 29.0 mm-40 -122.38 171.49 9.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.665 HD12 HG21 ' A' ' 84' ' ' ILE . 90.6 mt -121.23 113.9 20.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.577 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.8 m-90 61.27 31.83 19.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.48 0.21 83.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -100.09 133.3 44.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -60.66 136.31 58.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.665 HG21 HD12 ' A' ' 79' ' ' LEU . 2.6 pp -131.31 153.43 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.16 147.5 47.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.682 HG11 HD12 ' A' ' 72' ' ' LEU . 19.7 m -113.09 127.68 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.47 158.48 39.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.458 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 19.6 m95 -78.35 100.06 6.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.082 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -134.66 146.95 50.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.595 HD12 ' CE1' ' A' ' 59' ' ' TYR . 91.0 mt -104.27 141.28 36.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.57 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 59.7 t80 -84.95 102.15 12.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.59 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 15.6 mm -100.02 110.2 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.4 154.7 16.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.96 26.07 13.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.514 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.445 HD11 ' C ' ' A' ' 54' ' ' PHE . 35.3 pt -98.71 152.79 38.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 111.113 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.473 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.4 Cg_endo -69.79 148.66 65.39 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' MET . 63.0 mttt -71.46 -57.17 4.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.8 ptp -37.72 -33.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -70.52 153.05 43.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -125.11 158.49 33.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.866 ' HA ' HD12 ' A' ' 25' ' ' ILE . 16.6 ptt85 -43.82 -46.96 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -45.84 -52.74 10.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.67 -44.66 77.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.866 HD12 ' HA ' ' A' ' 22' ' ' ARG . 43.9 mt -49.03 -53.02 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 tp -48.01 -63.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -48.62 -43.82 36.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.716 ' HB3' HD22 ' A' ' 79' ' ' LEU . 30.6 mm-40 -66.99 -20.66 65.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.07 HG22 HG11 ' A' ' 36' ' ' VAL . 8.2 mm -89.36 -41.8 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.57 -11.08 1.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -103.72 -48.8 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.948 HG23 HG23 ' A' ' 33' ' ' THR . 10.2 m -70.95 -23.8 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.948 HG23 HG23 ' A' ' 32' ' ' VAL . 44.4 p -145.75 109.5 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -83.36 129.53 35.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.12 4.87 8.29 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.512 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 1.07 HG11 HG22 ' A' ' 29' ' ' ILE . 2.0 m -74.09 154.73 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 60' ' ' GLU . 9.9 tp -114.51 -49.75 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -163.63 157.57 19.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 56' ' ' PHE . 55.6 t -113.79 138.11 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.903 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.664 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -152.1 163.92 38.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.455 ' O ' HG13 ' A' ' 39' ' ' VAL . 6.7 m-85 -116.71 131.94 56.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.831 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.806 HG11 HG21 ' A' ' 29' ' ' ILE . 3.1 t -117.21 109.55 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -87.42 131.12 34.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.716 ' CE2' HG12 ' A' ' 36' ' ' VAL . 58.7 m-85 -114.17 133.02 55.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.648 ' HB3' HD13 ' A' ' 37' ' ' LEU . 13.2 pt-20 -61.7 -48.19 81.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.48 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 2.3 t -88.37 117.35 27.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -38.43 -37.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' ALA . 3.5 tpt180 -78.34 -44.51 24.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.616 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -36.6 -32.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.498 ' O ' HD11 ' A' ' 11' ' ' LEU . . . -83.94 -41.85 16.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -66.25 -51.11 60.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.1 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.6 ptp -70.59 -12.43 61.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -86.37 -36.56 19.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.576 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 0.9 OUTLIER -73.77 -37.38 65.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 13.9 ttm180 -61.24 -8.98 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -96.2 -31.63 12.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.626 HD12 HG11 ' A' ' 86' ' ' VAL . 1.2 mt -107.56 -3.58 19.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.633 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -53.77 -52.17 69.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.86 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.8 Cg_endo -69.73 -6.26 18.16 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.365 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.81 29.07 67.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -70.45 -27.75 64.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.308 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.53 HD13 HD23 ' A' ' 72' ' ' LEU . 5.0 mp -110.21 139.8 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -120.82 156.79 31.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.716 HD22 ' HB3' ' A' ' 28' ' ' GLU . 95.5 mt -110.84 117.37 33.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.54 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.6 m-90 57.99 35.08 24.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.25 3.74 77.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 11.8 m170 -103.44 134.44 46.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.711 0.291 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -65.29 134.16 53.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.636 HG21 HD12 ' A' ' 79' ' ' LEU . 2.8 pp -129.6 154.39 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.62 148.97 49.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.626 HG11 HD12 ' A' ' 72' ' ' LEU . 14.7 m -117.06 126.19 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -127.0 153.99 45.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.576 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 10.7 m95 -70.04 102.49 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.048 179.891 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 9' ' ' CYS . 1.8 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.761 0.315 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.724 ' HD3' HD12 ' A' ' 40' ' ' ILE . 35.9 mtm180 -129.76 150.27 51.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.42 HD12 ' CE1' ' A' ' 59' ' ' TYR . 11.8 mt -105.0 137.45 42.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.517 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 60.3 t80 -84.75 102.2 12.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 8.6 mm -103.06 114.48 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.4 145.04 15.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.1 17.27 16.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.0 pt -93.18 151.12 40.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 111.154 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.9 Cg_endo -69.73 133.08 24.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -62.27 -50.51 71.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.48 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 19.8 ptp -37.98 -37.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.48 ' CD ' ' HG3' ' A' ' 19' ' ' MET . 6.4 mptt -65.75 155.88 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -118.78 164.36 15.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.698 ' HA ' HD12 ' A' ' 25' ' ' ILE . 20.8 ptt180 -53.16 -43.76 67.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.1 -37.79 62.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.67 -50.63 12.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 22' ' ' ARG . 19.8 mt -47.24 -55.19 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -44.37 -56.27 4.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -58.65 -50.98 71.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.724 ' CG ' HD22 ' A' ' 79' ' ' LEU . 4.7 tp10 -56.61 -21.28 25.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.943 HG21 HG11 ' A' ' 57' ' ' VAL . 10.3 mm -92.5 -40.86 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.37 -11.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -103.37 -48.28 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.763 HG22 ' HA ' ' A' ' 29' ' ' ILE . 27.0 m -68.86 -29.42 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.699 HG23 HG23 ' A' ' 32' ' ' VAL . 69.2 p -140.22 112.75 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -85.22 130.65 34.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.62 18.05 4.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.869 HG11 HG22 ' A' ' 29' ' ' ILE . 1.5 m -87.48 158.38 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.665 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.7 tp -115.64 -48.25 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -163.56 170.32 17.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.76 139.78 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.724 HD12 ' HD3' ' A' ' 10' ' ' ARG . 17.5 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.621 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.621 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -154.48 157.59 38.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.404 ' CE1' ' HZ ' ' A' ' 54' ' ' PHE . 7.1 m-85 -110.33 140.67 44.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.943 HG11 HG21 ' A' ' 29' ' ' ILE . 2.3 t -126.11 107.1 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.27 134.35 33.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.868 ' CE2' HG12 ' A' ' 36' ' ' VAL . 51.7 m-85 -114.8 137.41 51.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.665 ' HB3' HD13 ' A' ' 37' ' ' LEU . 16.6 pt-20 -62.77 -49.08 76.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.588 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 58.6 m -86.77 119.93 27.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -45.79 -34.01 3.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 63' ' ' ARG . 0.4 OUTLIER -79.53 -40.71 28.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.588 ' HB2' ' HB2' ' A' ' 61' ' ' SER . . . -43.6 -41.14 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.576 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . . . -75.92 -30.63 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.81 -37.43 67.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -86.54 -30.96 21.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' A' ' 33' ' ' THR . . . -59.57 -41.32 89.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' MET . 3.0 ppt_? -69.89 -37.46 76.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -60.48 -9.28 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -98.31 -29.91 12.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.569 HD11 ' CG2' ' A' ' 33' ' ' THR . 4.6 mt -108.09 -2.62 19.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.662 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -55.52 -51.16 82.35 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 110.91 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.662 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.76 3.65 2.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.9 23.04 50.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.496 ' NE ' ' HB2' ' A' ' 74' ' ' PRO . 3.0 mpt_? -65.79 -38.64 89.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.482 HD13 HD23 ' A' ' 72' ' ' LEU . 4.7 mp -92.46 134.81 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -115.5 146.91 41.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.893 HD12 HG21 ' A' ' 84' ' ' ILE . 95.8 mt -103.42 112.73 25.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 2.7 m-90 58.76 30.93 20.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.94 2.79 90.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.493 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 11.8 m170 -105.35 129.13 53.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -63.79 142.27 58.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.893 HG21 HD12 ' A' ' 79' ' ' LEU . 2.4 pp -135.19 152.95 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.86 138.15 46.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.087 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.525 HG12 ' CD1' ' A' ' 13' ' ' ILE . 15.6 m -106.75 130.37 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -134.41 155.3 50.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -72.02 105.82 4.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.058 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -49.3 155.11 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -80.27 151.42 29.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.69 -70.56 0.14 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.454 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 t 39.59 42.63 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -61.85 117.99 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.63 -124.69 0.77 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.6 p-10 -52.99 172.62 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.5 m -125.62 128.76 48.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -131.97 137.77 48.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.797 HD12 ' CE1' ' A' ' 59' ' ' TYR . 66.3 mt -97.37 136.72 37.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.517 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 60.1 t80 -85.23 102.17 13.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.59 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 22.1 mm -101.36 107.17 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -118.86 146.4 18.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.44 53.63 0.99 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.447 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.5 pt -137.8 150.69 68.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.657 0.741 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.466 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 54.2 Cg_endo -69.78 139.89 41.24 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.0 mttt -67.5 -29.35 68.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.6 ptp -47.58 -21.22 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.501 ' HE3' ' CG ' ' A' ' 80' ' ' TRP . 26.3 mmtt -93.01 154.87 17.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLU . 4.9 mtmm -122.67 153.09 39.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.51 ' HA ' HD12 ' A' ' 25' ' ' ILE . 16.7 ptt85 -34.73 -33.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' LYS . 12.4 mt-10 -61.19 -48.89 79.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 21' ' ' LYS . 29.2 mm-40 -70.11 -49.9 46.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.689 HD13 ' HB2' ' A' ' 55' ' ' ALA . 34.1 mt -46.95 -56.03 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.645 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.6 tp -43.51 -54.91 4.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -54.78 -63.68 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.76 ' HB3' HD22 ' A' ' 79' ' ' LEU . 1.2 mp0 -46.63 -21.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.898 HG21 HG11 ' A' ' 57' ' ' VAL . 10.1 mm -91.6 -39.23 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.23 -12.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -103.07 -49.47 3.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.006 HG23 HG23 ' A' ' 33' ' ' THR . 5.8 m -65.61 -29.55 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 1.006 HG23 HG23 ' A' ' 32' ' ' VAL . 30.4 p -140.22 121.32 14.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -91.79 127.67 37.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.65 14.75 4.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.912 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.7 m -84.8 132.45 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.839 0.352 . . . . 0.0 111.112 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.747 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.6 tp -90.16 -50.88 5.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -162.26 162.59 28.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.645 HG21 ' HA ' ' A' ' 26' ' ' LEU . 25.6 t -116.51 138.84 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp -118.47 146.46 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.0 p -122.21 135.2 63.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -100.54 111.38 23.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.765 ' HB1' ' O ' ' A' ' 46' ' ' ALA . . . -172.23 157.77 4.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 46' ' ' ALA . 2.3 m -76.59 94.68 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.849 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 39.44 25.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.765 ' O ' ' HB1' ' A' ' 43' ' ' ALA . . . -173.78 124.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.54 -39.78 85.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -95.79 45.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.622 ' HB2' ' HB3' ' A' ' 46' ' ' ALA . 15.9 ttm -102.87 -51.22 3.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -102.08 10.48 39.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 60.48 45.42 10.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -86.12 131.46 34.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.08 66.16 0.29 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.624 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -161.02 168.21 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.689 ' HB2' HD13 ' A' ' 25' ' ' ILE . . . -155.83 156.49 34.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.503 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.5 m-85 -108.06 137.44 46.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.898 HG11 HG21 ' A' ' 29' ' ' ILE . 2.5 t -122.37 110.89 28.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -87.59 129.49 35.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.912 ' CE2' HG12 ' A' ' 36' ' ' VAL . 77.4 m-85 -111.85 127.27 55.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.747 ' HB3' HD13 ' A' ' 37' ' ' LEU . 13.6 pt-20 -53.06 -49.83 65.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.881 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.572 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 9.6 t -88.82 122.63 32.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -46.22 -33.06 3.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 65' ' ' ALA . 9.3 tpp85 -81.45 -42.67 20.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.65 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -39.61 -27.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.605 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -91.68 -39.77 11.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -62.89 -38.72 92.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.081 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.7 ptt? -88.97 -12.08 42.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.65 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -84.27 -22.37 30.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.066 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 73' ' ' MET . 18.8 ptt85 -82.92 -37.56 24.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -62.36 -7.91 5.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -94.47 -30.13 14.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.441 HD21 ' HB ' ' A' ' 32' ' ' VAL . 6.6 mt -109.51 -6.42 15.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.639 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -54.1 -51.98 72.56 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.927 179.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.76 -2.27 9.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 67.43 28.31 73.62 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -71.38 -30.18 65.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.5 ' O ' HD11 ' A' ' 84' ' ' ILE . 4.7 mp -107.76 129.69 61.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -113.41 153.86 27.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.76 HD22 ' HB3' ' A' ' 28' ' ' GLU . 96.8 mt -107.44 116.28 31.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.8 m-90 59.67 29.12 18.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.21 1.36 90.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.458 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -103.06 134.58 46.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.81 141.84 58.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.654 HG21 HD12 ' A' ' 79' ' ' LEU . 2.4 pp -133.73 154.12 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.89 144.86 50.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.136 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.509 HG12 ' CD1' ' A' ' 13' ' ' ILE . 20.7 m -112.15 127.86 69.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -130.53 155.09 47.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -72.73 107.44 5.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.3 -70.93 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 90' ' ' GLU . 2.0 pm0 -51.31 120.86 15.47 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.651 0.738 . . . . 0.0 110.921 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -49.06 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.35 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -155.51 106.65 2.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.741 ' H ' HD12 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -88.59 -176.9 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.128 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.724 ' H ' HG22 ' A' ' 93' ' ' ILE . 19.4 t0 -93.15 31.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.624 HG13 ' HB ' ' A' ' 93' ' ' ILE . 21.1 m -64.43 -42.66 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.484 ' N ' HG23 ' A' ' 95' ' ' VAL . 5.8 m-20 -41.47 -45.71 3.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -85.72 -66.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -114.54 106.91 14.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.8 p -120.48 -20.55 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 47.4 mtm -102.11 174.03 6.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 103' ' ' VAL . 23.0 mt-10 41.01 49.26 2.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 73.0 p -55.1 117.31 3.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 101' ' ' GLU . 83.9 t -123.15 141.59 42.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.4 t -116.55 61.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.33 85.88 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 107' ' ' SER . 54.3 Cg_endo -69.75 2.75 3.24 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.724 2.283 . . . . 0.0 112.344 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 106' ' ' PRO . 32.9 t -35.5 -55.45 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.818 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.9 p -122.0 113.41 19.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.519 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 3' ' ' SER . 35.3 t -92.32 -57.76 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' SER . 24.6 p -35.84 148.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.79 169.42 30.6 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 m -85.75 145.24 27.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -89.25 104.94 17.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.88 74.21 0.37 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -158.12 119.36 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.19 117.15 29.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -134.49 138.42 44.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.458 HD11 ' HB3' ' A' ' 68' ' ' ALA . 50.8 mt -94.54 138.69 32.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.653 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 58.2 t80 -85.56 102.67 13.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.586 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 23.1 mm -97.8 106.16 18.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.182 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -116.41 147.74 18.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.18 31.92 6.65 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 30.6 pt -105.52 151.37 39.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.646 0.736 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 129.57 17.83 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 19' ' ' MET . 38.3 mttt -58.44 -53.9 53.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.456 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 24.0 ptp -35.87 -40.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' CD ' ' HG3' ' A' ' 19' ' ' MET . 7.2 mptt -64.46 151.88 43.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.56 -179.07 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.458 ' HA ' HD12 ' A' ' 25' ' ' ILE . 24.7 ptt180 -68.78 -46.39 68.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -51.59 -37.46 49.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -74.99 -49.61 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 22' ' ' ARG . 18.0 mt -54.83 -45.1 74.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.605 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.9 tp -54.0 -56.14 20.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -60.93 -40.89 94.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.536 ' HB3' HD22 ' A' ' 79' ' ' LEU . 19.1 mm-40 -66.74 -17.9 65.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.723 HG22 HG11 ' A' ' 36' ' ' VAL . 9.6 mm -97.02 -38.42 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.28 -10.71 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -100.16 -47.54 4.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.666 HG23 HG23 ' A' ' 33' ' ' THR . 30.3 m -71.31 -26.85 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.666 HG23 HG23 ' A' ' 32' ' ' VAL . 41.0 p -142.62 112.36 6.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -86.21 134.12 33.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' HA3' ' HB1' ' A' ' 64' ' ' ALA . . . 121.44 7.41 8.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.915 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.5 m -77.05 159.41 5.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 111.169 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.75 HD13 ' HB3' ' A' ' 60' ' ' GLU . 9.9 tp -120.62 -49.16 2.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -161.25 147.91 14.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 56' ' ' PHE . 70.1 t -111.35 133.92 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.2 mp -108.03 143.34 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 41' ' ' VAL . 13.5 p -114.61 123.53 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -100.77 129.75 46.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 44' ' ' SER . . . -171.66 165.96 6.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.104 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' ALA . 35.2 t -34.69 -40.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 46' ' ' ALA . . . -134.13 177.41 7.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.076 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 45' ' ' ALA . . . -34.26 -50.71 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -175.0 118.6 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -138.67 155.63 48.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.1 ptt? -57.41 -12.76 2.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -96.43 22.82 7.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -38.55 155.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -63.68 -60.52 3.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.815 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.67 33.48 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.653 ' CE2' ' CD2' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -159.96 168.74 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 -179.854 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.642 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -155.02 153.66 31.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.658 ' O ' HG13 ' A' ' 39' ' ' VAL . 6.5 m-85 -107.28 147.84 29.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.72 HG11 HG21 ' A' ' 29' ' ' ILE . 8.0 t -130.31 107.16 14.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -83.89 121.6 27.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.915 ' CE2' HG12 ' A' ' 36' ' ' VAL . 83.6 m-85 -104.93 126.86 52.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.75 ' HB3' HD13 ' A' ' 37' ' ' LEU . 15.7 pt-20 -56.09 -47.02 78.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.568 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 9.3 t -90.31 119.6 30.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.495 ' NE2' HG11 ' A' ' 95' ' ' VAL . 5.3 t-80 -44.33 -35.17 2.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -79.04 -41.1 29.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.718 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -42.75 -26.97 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . . . -91.81 -42.9 9.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.421 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -59.22 -48.46 81.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.3 ptp -79.14 -14.38 59.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -82.62 -23.58 34.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.569 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 2.9 ptm180 -83.86 -39.33 20.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -63.3 -8.09 7.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -95.23 -32.52 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.611 HD23 HD13 ' A' ' 77' ' ' ILE . 13.7 mt -106.01 -3.1 22.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.648 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -56.34 -51.83 77.87 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.568 0.699 . . . . 0.0 110.882 179.856 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.0 Cg_endo -69.79 3.31 2.86 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.672 2.248 . . . . 0.0 112.364 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.43 27.7 61.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.0 mmt-85 -68.23 -33.48 74.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.611 HD13 HD23 ' A' ' 72' ' ' LEU . 4.6 mp -99.5 135.21 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -118.79 145.03 45.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.809 HD12 HG21 ' A' ' 84' ' ' ILE . 39.8 mt -103.44 121.31 42.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.569 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 3.5 m-90 55.38 35.37 24.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.946 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.82 4.79 77.75 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -107.14 136.01 47.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.76 0.314 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -69.29 148.49 49.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.809 HG21 HD12 ' A' ' 79' ' ' LEU . 2.5 pp -142.3 152.92 18.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.86 145.22 51.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.547 HG12 HD13 ' A' ' 13' ' ' ILE . 18.9 m -113.21 127.18 70.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -128.68 154.28 46.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.569 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 18.0 m95 -69.88 107.03 3.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.45 -57.79 6.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -106.65 135.9 19.47 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -51.01 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.336 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -150.36 114.36 5.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.731 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -109.78 -176.7 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.177 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.731 ' H ' HG22 ' A' ' 93' ' ' ILE . 16.4 t0 -95.42 37.28 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.537 HG13 ' HB ' ' A' ' 93' ' ' ILE . 20.5 m -65.54 -29.0 45.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -60.82 -39.62 89.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -94.39 -53.89 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -129.19 110.12 11.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.3 p -117.23 -24.62 3.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -102.22 171.09 7.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -113.1 146.99 38.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.1 t -125.44 167.87 14.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.6 t -118.22 96.97 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.6 m -163.23 164.88 24.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -126.9 65.84 0.56 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -25.7 28.24 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 2.249 . . . . 0.0 112.375 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.5 m -124.78 163.68 21.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 87.9 p -96.78 125.41 41.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -118.12 177.94 4.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -113.29 134.39 54.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.69 76.05 0.28 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -147.17 172.44 13.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.944 0.402 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -57.11 -48.94 77.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.75 -156.88 24.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -133.5 97.06 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.798 0.332 . . . . 0.0 110.869 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -105.25 118.09 35.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.7 mtm-85 -138.15 147.34 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.401 HD12 ' CE1' ' A' ' 59' ' ' TYR . 19.8 mt -107.93 136.57 47.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.458 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 42.9 t80 -85.94 102.55 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.476 ' CD1' HG12 ' A' ' 86' ' ' VAL . 9.9 mm -101.36 117.97 47.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.06 148.56 17.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.65 -5.22 47.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.461 HG22 HG21 ' A' ' 84' ' ' ILE . 13.7 pt -72.5 147.38 89.73 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.637 0.732 . . . . 0.0 111.115 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 54.0 Cg_endo -69.72 121.4 8.1 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.391 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -57.34 -34.28 68.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 6.0 ptp -43.57 -24.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.458 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 38.6 mmtt -84.57 178.5 7.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -133.88 175.29 9.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.2 ptt85 -61.65 -33.92 74.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -66.34 -40.31 89.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -73.99 -53.84 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.1 mt -44.31 -55.87 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.489 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.9 tp -45.0 -56.98 4.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -49.37 -53.05 24.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.701 ' HB3' HD22 ' A' ' 79' ' ' LEU . 13.2 mm-40 -60.6 -18.63 54.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.068 HG22 HG11 ' A' ' 36' ' ' VAL . 10.8 mm -89.19 -39.66 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.1 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.02 -12.48 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -103.84 -48.92 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.019 HG23 HG23 ' A' ' 33' ' ' THR . 4.8 m -66.65 -30.88 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 1.019 HG23 HG23 ' A' ' 32' ' ' VAL . 65.9 p -134.22 117.49 16.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.145 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -89.46 113.78 25.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.53 13.38 2.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.502 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 1.068 HG11 HG22 ' A' ' 29' ' ' ILE . 1.3 m -80.81 147.6 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.144 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.689 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.2 tp -102.55 -50.08 3.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.435 ' HA ' HD13 ' A' ' 26' ' ' LEU . 5.5 m-20 -162.69 174.33 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 56' ' ' PHE . 24.7 t -128.31 141.14 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.7 mp -119.32 149.2 21.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.092 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 41' ' ' VAL . 11.1 p -140.35 111.73 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.1 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.515 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 1.3 p90 -156.08 161.61 40.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.468 ' HB1' ' HD3' ' A' ' 52' ' ' ARG . . . -174.1 -175.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.065 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 43' ' ' ALA . 3.0 m -34.55 -40.01 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.07 174.53 6.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.05 174.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.094 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -78.86 47.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.5 tttm -99.08 176.88 5.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 13.7 ptm -53.74 -16.74 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -87.92 14.44 8.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -93.32 131.05 38.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.468 ' HD3' ' HB1' ' A' ' 43' ' ' ALA . 0.7 OUTLIER -41.46 150.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.15 71.5 1.73 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -152.04 164.69 36.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.359 . . . . 0.0 110.865 -179.884 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.57 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -155.0 152.64 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.49 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.2 m-85 -102.2 140.58 36.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.654 ' CG1' HG21 ' A' ' 29' ' ' ILE . 2.3 t -124.58 104.75 14.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -86.33 129.14 34.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.898 ' CE2' HG12 ' A' ' 36' ' ' VAL . 84.1 m-85 -114.04 134.38 54.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.689 ' HB3' HD13 ' A' ' 37' ' ' LEU . 11.3 pt-20 -59.37 -49.24 78.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.2 t -90.8 122.26 33.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 16.1 t-80 -48.7 -24.97 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.845 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 66' ' ' ALA . 23.9 tpp180 -85.65 -44.05 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -39.74 -34.17 0.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.401 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . . . -83.57 -38.49 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.064 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.468 ' HA ' ' CH2' ' A' ' 88' ' ' TRP . . . -61.48 -42.82 99.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.08 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -83.66 -12.95 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -83.96 -42.34 16.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.635 ' O ' HG21 ' A' ' 86' ' ' VAL . 8.0 ppt_? -65.19 -36.43 84.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.481 ' N ' ' HD2' ' A' ' 69' ' ' ARG . 24.0 ptt85 -70.9 -8.43 52.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -94.34 -31.04 14.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.792 HD23 HD13 ' A' ' 77' ' ' ILE . 6.4 mt -107.17 3.4 25.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.635 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -63.24 -51.91 65.53 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.565 0.697 . . . . 0.0 110.9 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.8 Cg_endo -69.73 -3.73 12.58 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.721 2.281 . . . . 0.0 112.336 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.71 25.5 74.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -65.98 -26.72 67.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.838 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.792 HD13 HD23 ' A' ' 72' ' ' LEU . 4.8 mp -110.79 141.24 26.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -123.82 143.27 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 28' ' ' GLU . 96.5 mt -101.39 118.09 36.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.577 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.3 m-90 60.03 35.89 21.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.62 1.32 65.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.473 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -107.41 139.05 42.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.743 0.306 . . . . 0.0 110.829 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.24 153.88 42.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.532 HG21 HD12 ' A' ' 79' ' ' LEU . 2.2 pp -143.98 160.86 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.95 149.28 50.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.635 HG21 ' O ' ' A' ' 69' ' ' ARG . 20.7 m -122.48 123.24 68.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.114 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -129.17 149.63 50.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.468 ' CH2' ' HA ' ' A' ' 66' ' ' ALA . 17.0 m95 -64.74 109.41 2.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.6 -55.59 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.68 141.86 60.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.24 . . . . 0.0 112.325 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -162.34 109.59 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.731 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -105.51 -177.94 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.132 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.731 ' H ' HG22 ' A' ' 93' ' ' ILE . 1.1 m-20 -91.59 36.75 0.95 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.664 HG13 ' HB ' ' A' ' 93' ' ' ILE . 10.6 m -71.73 -31.57 42.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -62.09 -48.45 80.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -81.23 -61.65 1.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -129.07 105.95 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 100' ' ' MET . 14.9 p -92.4 -39.41 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.415 ' N ' HG13 ' A' ' 99' ' ' VAL . 27.2 mtt -71.77 164.12 26.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -102.79 141.66 35.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 71.4 p -128.36 152.45 48.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 103' ' ' VAL . 6.6 p -126.71 79.33 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.4 p -45.48 -57.94 3.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.82 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 87.58 83.44 1.2 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.464 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 107' ' ' SER . 53.7 Cg_endo -69.77 84.86 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.266 . . . . 0.0 112.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 106' ' ' PRO . 4.1 m -35.56 -54.39 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.9 t -65.11 -62.0 1.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.549 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 m -59.49 -59.12 5.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 110.867 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -62.86 152.22 36.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.19 -158.62 9.87 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 m -118.77 -62.22 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -90.22 95.53 10.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.41 112.57 1.11 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -43.36 163.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.586 ' SG ' ' CD2' ' A' ' 62' ' ' HIS . 4.3 m -104.22 118.84 37.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 mtt85 -131.52 137.12 48.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.462 HD12 ' CE1' ' A' ' 59' ' ' TYR . 18.8 mt -93.9 140.85 29.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.519 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 55.8 t80 -85.99 102.1 13.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.587 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 12.0 mm -102.16 108.75 24.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.11 155.54 16.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.64 46.56 4.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.482 HD11 ' C ' ' A' ' 54' ' ' PHE . 45.1 pt -118.71 151.95 50.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.575 0.702 . . . . 0.0 111.139 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.43 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.3 Cg_endo -69.81 148.68 65.27 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -84.94 -15.76 43.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 24.3 ptp -83.66 9.65 11.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -114.8 128.38 56.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -87.99 150.7 23.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.744 ' HA ' HD12 ' A' ' 25' ' ' ILE . 10.8 ptt85 -42.76 -45.93 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -46.17 -38.19 7.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -81.08 -40.41 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 22' ' ' ARG . 53.3 mt -55.42 -47.9 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.557 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.7 tp -51.27 -62.45 1.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -45.15 -56.71 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.816 ' O ' HG13 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -51.16 -27.01 7.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.001 HG22 HG11 ' A' ' 36' ' ' VAL . 26.5 mm -86.26 -40.76 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.29 -14.26 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -104.11 -49.24 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.908 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.021 HG23 HG23 ' A' ' 33' ' ' THR . 4.2 m -64.5 -30.44 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.103 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 1.021 HG23 HG23 ' A' ' 32' ' ' VAL . 51.6 p -141.13 114.22 8.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -85.16 127.69 34.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.25 10.59 6.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.457 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 1.001 HG11 HG22 ' A' ' 29' ' ' ILE . 1.6 m -80.17 158.14 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 111.105 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.561 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -115.37 -48.66 2.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.439 ' HA ' HD13 ' A' ' 26' ' ' LEU . 11.0 t0 -164.36 160.95 21.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.557 HG21 ' HA ' ' A' ' 26' ' ' LEU . 41.7 t -119.41 136.44 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.0 mt -119.67 126.03 74.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.728 ' O ' HG13 ' A' ' 41' ' ' VAL . 12.6 p -115.48 102.68 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -158.11 158.52 34.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 44' ' ' SER . . . -163.31 177.94 8.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.101 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' ALA . 95.5 p -36.74 -40.38 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.19 -75.03 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -172.84 116.03 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.526 ' HB3' HG22 ' A' ' 41' ' ' VAL . 1.9 p30 37.79 30.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' ALA . 12.3 mtpp 41.29 54.56 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -15.45 42.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -89.47 -32.55 17.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 52' ' ' ARG . 2.2 t-20 -102.1 167.62 9.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 51' ' ' ASN . 24.6 ptt180 -33.91 -46.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 119.74 135.89 5.13 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.587 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 5.0 t80 -136.82 162.51 33.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.913 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.527 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -146.77 162.68 38.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.464 ' O ' HG13 ' A' ' 39' ' ' VAL . 5.9 m-85 -116.65 137.98 51.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.867 HG11 HG21 ' A' ' 29' ' ' ILE . 3.1 t -121.61 107.2 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -85.8 122.73 30.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.945 ' CE2' HG12 ' A' ' 36' ' ' VAL . 70.4 m-85 -105.96 142.86 34.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.561 ' HB3' HD13 ' A' ' 37' ' ' LEU . 14.5 pt-20 -65.49 -50.4 65.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.7 t -96.38 124.3 40.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.586 ' CD2' ' SG ' ' A' ' 9' ' ' CYS . 8.9 t-80 -47.2 -31.57 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.7 tpp85 -73.64 -49.25 26.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.569 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -41.41 -33.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.2 -35.11 18.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.69 -35.45 80.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -89.82 -28.11 19.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -64.69 -39.69 94.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.602 ' O ' HG21 ' A' ' 86' ' ' VAL . 5.0 ptm180 -63.78 -52.69 59.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 25.5 ttt85 -48.57 -19.77 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -79.34 -53.59 6.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.765 HD12 HG11 ' A' ' 86' ' ' VAL . 1.2 mt -90.66 7.44 39.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.636 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 6.5 ttm -63.9 -52.13 59.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.832 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.2 Cg_endo -69.8 -4.36 13.89 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.71 26.67 68.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.437 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.4 mmm-85 -67.93 -39.24 83.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.459 HD13 HD23 ' A' ' 72' ' ' LEU . 4.3 mp -100.38 148.37 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -130.07 160.92 32.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.705 HD22 ' HB3' ' A' ' 28' ' ' GLU . 65.2 mt -115.79 119.31 35.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.587 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 3.7 m-90 54.18 45.0 28.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 66.08 2.75 14.51 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.51 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.43 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 20.1 m170 -101.6 132.66 47.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.743 0.306 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -64.9 130.82 44.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.438 HG21 HD12 ' A' ' 79' ' ' LEU . 2.8 pp -124.84 158.26 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.12 145.99 42.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.765 HG11 HD12 ' A' ' 72' ' ' LEU . 15.8 m -113.15 131.2 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -141.61 163.18 33.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.433 ' NE1' ' CZ ' ' A' ' 69' ' ' ARG . 19.1 m95 -74.32 135.81 42.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.41 35.65 0.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.552 ' CB ' HD11 ' A' ' 93' ' ' ILE . 9.5 mt-10 -145.87 138.13 13.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.604 0.716 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -50.86 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.661 2.24 . . . . 0.0 112.327 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -160.32 109.89 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.721 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.1 OUTLIER -114.68 -176.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.721 ' H ' HG22 ' A' ' 93' ' ' ILE . 1.1 m-20 -85.66 40.23 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.405 HG13 ' HB ' ' A' ' 93' ' ' ILE . 17.1 m -67.83 -24.48 30.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.11 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -61.33 -33.26 73.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -108.84 -65.16 1.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -120.84 113.63 20.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.1 p -94.13 -35.27 6.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 38.0 mtm -65.76 161.84 19.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -78.64 114.48 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.8 t -165.58 -179.64 5.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.3 t -95.93 -56.92 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.4 t -154.61 153.2 30.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -106.72 84.18 0.38 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 128.7 16.39 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.6 t -116.56 96.12 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 80.5 p -87.46 154.79 20.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -127.78 161.88 27.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.849 0.356 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.0 m -131.35 -57.19 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.51 144.08 11.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -106.65 141.98 37.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.352 . . . . 0.0 110.898 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -63.51 -53.08 57.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.06 -62.66 2.6 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -67.85 134.85 51.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.4 t -127.74 133.54 49.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -144.53 138.19 27.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 68' ' ' ALA . 32.2 mt -98.63 140.45 32.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.523 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 47.1 t80 -88.34 104.78 17.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.539 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 10.5 mm -102.37 118.68 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.157 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.57 144.7 15.44 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.468 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.46 37.83 3.66 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.418 ' CD1' ' HB2' ' A' ' 55' ' ' ALA . 25.1 pt -118.2 151.48 49.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 111.111 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 130.33 19.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.238 . . . . 0.0 112.36 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 19' ' ' MET . 28.1 mttt -64.19 -49.95 70.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 18' ' ' LYS . 5.2 ptp -34.44 -38.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -59.93 170.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -130.63 150.27 51.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -39.8 -42.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 13.0 pt-20 -54.46 -51.18 65.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.486 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 4.6 mp0 -62.63 -48.46 79.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.4 mt -53.78 -56.67 7.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.049 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 tp -43.86 -57.34 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -51.28 -55.69 16.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.785 ' O ' HG13 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -54.71 -23.0 15.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.969 HG22 HG11 ' A' ' 36' ' ' VAL . 12.8 mm -87.72 -40.03 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.39 -14.12 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -104.27 -50.21 3.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.992 HG23 HG23 ' A' ' 33' ' ' THR . 4.0 m -64.56 -29.28 46.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.992 HG23 HG23 ' A' ' 32' ' ' VAL . 41.6 p -141.12 116.22 9.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -87.57 128.19 35.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.79 16.68 4.89 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.969 HG11 HG22 ' A' ' 29' ' ' ILE . 1.2 m -85.02 151.8 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.119 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.624 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.2 tp -109.56 -50.59 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -164.33 162.78 22.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 56' ' ' PHE . 15.4 t -115.66 147.32 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.0 mt -129.54 135.47 61.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.69 ' O ' HG13 ' A' ' 41' ' ' VAL . 13.0 p -132.18 107.26 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.544 ' C ' ' CD1' ' A' ' 42' ' ' TYR . 1.6 p90 -159.41 162.3 35.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 44' ' ' SER . . . -168.5 177.88 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.069 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' ALA . 25.0 t -35.52 -54.72 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.76 -73.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -172.77 117.57 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 40.89 30.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' CG ' ' HB2' ' A' ' 51' ' ' ASN . 28.3 mtmt 45.31 52.1 9.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 19.9 mtt -52.09 -39.14 59.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.828 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -90.61 -36.25 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.435 ' HB2' ' CG ' ' A' ' 48' ' ' LYS . 68.3 m-20 -82.28 174.34 11.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -56.59 146.39 25.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.21 136.48 25.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.626 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -153.74 168.09 27.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.808 0.337 . . . . 0.0 110.892 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.626 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -157.52 153.56 27.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.418 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.4 m-85 -105.08 134.98 47.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.78 HG11 HG21 ' A' ' 29' ' ' ILE . 2.4 t -120.28 102.32 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -82.87 135.33 34.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.864 ' CE2' HG12 ' A' ' 36' ' ' VAL . 81.5 m-85 -120.24 134.13 55.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.923 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.624 ' HB3' HD13 ' A' ' 37' ' ' LEU . 13.6 pt-20 -54.71 -48.85 71.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.2 p -100.84 125.55 47.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -48.0 -30.93 4.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.3 tpp180 -73.19 -44.94 59.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.637 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -46.24 -27.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.13 -40.18 13.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.2 91.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.0 ptp -86.9 -18.48 30.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.637 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -75.51 -40.31 57.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -68.75 -46.92 67.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.476 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 12.0 ttt85 -52.7 -16.84 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -88.38 -38.62 14.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.561 HD23 HD13 ' A' ' 77' ' ' ILE . 2.7 mt -100.84 0.98 39.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.637 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -58.29 -52.08 77.17 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.539 0.685 . . . . 0.0 110.862 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.76 3.22 2.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.662 2.242 . . . . 0.0 112.333 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.51 18.6 63.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.462 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.5 mtp-105 -60.11 -34.6 73.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.745 0.307 . . . . 0.0 110.824 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.561 HD13 HD23 ' A' ' 72' ' ' LEU . 2.8 mp -98.73 144.61 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -128.02 150.57 49.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.747 HD12 HG21 ' A' ' 84' ' ' ILE . 79.1 mt -109.56 115.75 30.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.563 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.3 m-90 58.62 39.31 24.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.24 3.55 57.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -103.74 132.05 50.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -66.0 138.7 57.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.747 HG21 HD12 ' A' ' 79' ' ' LEU . 2.5 pp -130.86 154.72 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.42 138.99 45.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.508 HG12 ' CD1' ' A' ' 13' ' ' ILE . 16.6 m -104.76 135.48 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -137.87 151.98 48.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.436 ' O ' ' C ' ' A' ' 89' ' ' ALA . 5.1 m95 -70.21 102.11 2.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . -35.31 -48.13 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.092 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -109.43 138.61 20.59 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.629 0.728 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -51.56 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.234 . . . . 0.0 112.4 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -135.04 95.12 3.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.707 ' H ' HD12 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -87.13 177.92 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.663 ' H ' HG22 ' A' ' 93' ' ' ILE . 1.5 m-20 -91.62 35.88 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.537 HG13 ' HB ' ' A' ' 93' ' ' ILE . 34.3 m -75.7 -39.49 39.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.407 ' N ' HG23 ' A' ' 95' ' ' VAL . 4.5 m-20 -59.98 -32.42 70.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.26 -52.23 4.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -134.66 98.5 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 100' ' ' MET . 8.2 p -98.52 -41.15 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.434 ' N ' HG13 ' A' ' 99' ' ' VAL . 3.8 ptp -92.71 178.07 5.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -115.67 147.99 40.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 37.8 p -136.35 174.09 11.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 85.6 t -123.67 123.69 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.1 t -121.96 121.5 37.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 106.1 83.56 1.64 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 130.52 19.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 49.3 m -128.91 121.63 28.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.3 m -65.79 151.77 45.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -50.43 134.08 23.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 p -165.22 164.07 20.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.01 -41.18 18.89 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.485 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.7 m -43.76 -52.81 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 p -52.28 -53.28 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.79 -114.68 6.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -67.42 133.1 48.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 110.917 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 t -126.89 118.81 25.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.2 mtm180 -125.99 136.24 52.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 11' ' ' LEU . 18.1 mt -95.93 137.11 35.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.418 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 34.2 t80 -85.11 103.97 14.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.535 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 11.8 mm -101.81 117.5 47.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -128.28 136.28 9.05 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.545 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.58 -0.41 24.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.411 HG22 HG21 ' A' ' 84' ' ' ILE . 6.7 pt -77.78 145.63 70.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.63 0.729 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.452 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.8 Cg_endo -69.82 122.27 8.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.664 2.242 . . . . 0.0 112.372 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' CE ' ' O ' ' A' ' 51' ' ' ASN . 28.5 mttt -57.16 -34.43 68.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.45 ' CG ' ' HE2' ' A' ' 20' ' ' LYS . 5.6 ptp -43.48 -22.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HE3' ' CG ' ' A' ' 80' ' ' TRP . 32.4 mmtt -85.52 -177.73 6.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.65 155.27 45.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.487 ' HA ' HD12 ' A' ' 25' ' ' ILE . 27.5 ptt180 -42.87 -40.71 3.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.52 -39.65 88.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -75.94 -46.64 28.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 22' ' ' ARG . 30.1 mt -52.32 -54.05 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 tp -44.39 -60.39 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -50.12 -50.22 49.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.598 ' HB3' HD22 ' A' ' 79' ' ' LEU . 32.0 mm-40 -62.2 -14.79 41.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.042 HG22 HG11 ' A' ' 36' ' ' VAL . 19.9 mm -95.86 -38.93 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.166 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.5 -12.87 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.065 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.94 -52.03 3.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.939 HG23 HG23 ' A' ' 33' ' ' THR . 4.1 m -66.17 -23.24 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.939 HG23 HG23 ' A' ' 32' ' ' VAL . 70.7 p -145.47 110.02 5.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -84.65 127.46 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.25 14.0 5.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 1.042 HG11 HG22 ' A' ' 29' ' ' ILE . 1.3 m -83.03 155.38 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 111.104 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.522 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.0 tp -113.56 -49.6 2.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -164.21 155.52 15.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 56' ' ' PHE . 11.4 t -114.21 137.82 46.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.8 mp -114.53 140.19 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.666 ' O ' HG13 ' A' ' 41' ' ' VAL . 9.3 p -124.3 101.27 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.485 ' CE2' ' CE2' ' A' ' 56' ' ' PHE . 3.6 p90 -152.51 163.0 40.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 44' ' ' SER . . . -173.77 -175.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.111 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 43' ' ' ALA . 2.1 m -35.75 -44.0 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.88 168.84 9.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.123 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.81 164.43 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -78.22 59.5 2.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -95.26 169.04 10.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.8 ptp -53.56 -16.95 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mtpt -104.98 23.23 13.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.44 ' O ' ' CE ' ' A' ' 18' ' ' LYS . 11.8 t-20 -78.46 172.88 13.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.4 154.34 40.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.51 51.96 4.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.647 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -138.45 168.16 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 110.895 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.647 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -158.4 152.06 23.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.098 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.485 ' CE2' ' CE2' ' A' ' 42' ' ' TYR . 10.9 m-85 -100.65 139.61 36.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.664 HG11 HG21 ' A' ' 29' ' ' ILE . 2.3 t -125.15 100.86 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -84.05 136.13 34.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.893 ' CE2' HG12 ' A' ' 36' ' ' VAL . 65.7 m-85 -119.94 136.62 54.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.927 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.522 ' HB3' HD13 ' A' ' 37' ' ' LEU . 15.9 pt-20 -55.31 -46.45 76.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 56.4 p -106.34 122.03 45.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.827 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -46.43 -24.34 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -75.73 -44.14 43.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -49.49 -31.02 9.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.68 -42.23 18.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.82 -48.03 82.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -75.56 -29.06 59.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -65.34 -53.6 41.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.089 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.529 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 6.0 ptm180 -57.37 -39.96 77.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.414 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 7.5 ttm105 -62.29 -8.92 6.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -100.12 -25.17 14.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.698 HD23 HD13 ' A' ' 77' ' ' ILE . 1.2 mt -112.43 1.69 16.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.636 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -60.15 -51.99 76.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 110.849 179.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.1 Cg_endo -69.77 -2.25 9.86 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.318 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.8 28.77 73.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -68.19 -32.8 73.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.698 HD13 HD23 ' A' ' 72' ' ' LEU . 5.0 mp -100.13 137.56 27.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -118.11 140.77 49.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.769 HD12 HG21 ' A' ' 84' ' ' ILE . 71.5 mt -101.11 118.74 37.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.56 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.0 m-90 60.39 35.39 20.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.79 1.99 68.88 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.442 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -108.63 137.79 45.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.742 0.306 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -68.42 154.24 42.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.769 HG21 HD12 ' A' ' 79' ' ' LEU . 2.2 pp -144.28 156.71 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.99 137.73 53.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.694 HG11 HD12 ' A' ' 72' ' ' LEU . 15.6 m -113.15 119.21 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 88' ' ' TRP . 1.9 t70 -124.86 162.73 23.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.529 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 21.5 m95 -76.48 101.47 5.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.03 -70.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.455 ' CB ' HD11 ' A' ' 93' ' ' ILE . 3.4 mt-10 -149.32 139.5 13.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -50.42 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -165.37 106.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.732 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -104.88 -177.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.732 ' H ' HG22 ' A' ' 93' ' ' ILE . 28.8 m-20 -94.03 36.69 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 13.2 m -44.5 -25.58 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -55.35 -47.14 76.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -83.22 -48.34 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -143.61 120.51 11.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.3 p -121.94 -27.54 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 35.9 mtp -95.9 160.4 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.483 ' C ' ' CD ' ' A' ' 101' ' ' GLU . 1.0 OUTLIER -92.28 92.27 8.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.877 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.9 p -116.7 162.46 17.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.168 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.15 127.19 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.128 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 79.3 p -169.76 130.44 1.03 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 175.98 62.03 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -174.22 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.356 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.4 p -83.92 84.45 7.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.1 m -99.77 98.83 9.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -146.0 158.69 43.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 m -73.63 145.07 45.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.42 -173.13 42.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.1 t -58.58 144.51 42.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.93 0.395 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.7 p -117.3 153.62 32.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.2 -62.96 0.16 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -45.27 145.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.836 0.351 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.8 t -123.2 127.68 48.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -134.1 137.99 44.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.629 HD12 ' CE1' ' A' ' 59' ' ' TYR . 35.6 mt -98.98 139.22 34.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.505 ' CD1' ' CE2' ' A' ' 54' ' ' PHE . 62.7 t80 -85.24 102.13 13.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 21.3 mm -101.06 102.33 13.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.09 154.23 16.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.22 64.91 1.44 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.421 HD11 ' C ' ' A' ' 54' ' ' PHE . 19.8 pt -142.47 153.7 62.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.477 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.4 Cg_endo -69.8 142.6 48.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.332 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 20' ' ' LYS . 28.9 mttt -76.42 -40.95 49.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.6 ptp -38.62 -26.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 18' ' ' LYS . 32.0 mmtt -76.11 -174.81 2.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -144.04 158.23 43.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.444 ' HA ' HD12 ' A' ' 25' ' ' ILE . 26.5 ptt180 -49.46 -38.2 28.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -67.4 -40.94 85.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -69.64 -46.64 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 22' ' ' ARG . 25.4 mt -52.08 -48.95 41.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.638 ' HA ' HG21 ' A' ' 39' ' ' VAL . 4.0 tp -43.41 -59.84 1.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -49.07 -61.79 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.76 ' O ' HG13 ' A' ' 32' ' ' VAL . 16.0 mm-40 -45.81 -26.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.015 HG21 HG11 ' A' ' 57' ' ' VAL . 18.5 mm -87.97 -39.75 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.61 -13.05 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -103.77 -49.25 3.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.964 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.028 HG23 HG23 ' A' ' 33' ' ' THR . 3.9 m -64.8 -31.69 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 1.028 HG23 HG23 ' A' ' 32' ' ' VAL . 44.8 p -139.75 115.52 10.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -86.1 126.88 34.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.82 12.73 4.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.978 HG11 HG22 ' A' ' 29' ' ' ILE . 2.3 m -83.45 135.6 24.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.382 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.2 tp -92.2 -51.54 5.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -164.15 160.18 21.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.638 HG21 ' HA ' ' A' ' 26' ' ' LEU . 89.6 t -111.37 136.33 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.109 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -113.81 148.88 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.654 ' O ' HG13 ' A' ' 41' ' ' VAL . 5.4 p -139.16 114.01 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -160.21 127.69 4.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.474 ' CB ' ' HD2' ' A' ' 52' ' ' ARG . . . -134.93 97.93 3.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.086 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.4 p 51.79 25.58 3.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -168.44 -176.26 2.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.08 -71.93 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.538 ' HB2' HG13 ' A' ' 41' ' ' VAL . 10.6 p-10 -158.92 131.63 6.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -127.72 86.43 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.593 ' HB3' HG11 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -104.63 -1.63 26.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -102.44 -25.82 13.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -133.13 65.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 52' ' ' ARG . 4.1 mmp_? -152.6 152.48 31.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -113.44 27.65 9.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.683 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -159.35 169.14 24.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.901 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.683 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -160.56 155.39 24.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.623 ' O ' HG13 ' A' ' 39' ' ' VAL . 36.3 m-85 -101.61 135.21 43.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.015 HG11 HG21 ' A' ' 29' ' ' ILE . 2.5 t -122.47 110.47 26.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -83.25 143.13 30.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.886 ' CE2' HG12 ' A' ' 36' ' ' VAL . 74.9 m-85 -126.01 126.07 43.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.631 ' HB3' HD13 ' A' ' 37' ' ' LEU . 11.5 pt-20 -53.78 -48.0 70.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.407 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 2.2 t -91.69 120.47 32.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -44.46 -33.48 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 65' ' ' ALA . 21.2 tpp180 -79.77 -43.36 22.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.719 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -40.52 -27.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.433 ' HB1' ' HG ' ' A' ' 11' ' ' LEU . . . -91.59 -43.71 9.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -59.27 -45.82 90.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -79.33 -23.04 43.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.719 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -69.76 -29.99 67.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HA ' HG21 ' A' ' 86' ' ' VAL . 10.4 ptt180 -78.62 -36.03 44.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -62.01 -8.45 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.4 tttt -99.27 -23.65 15.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.724 HD12 HG11 ' A' ' 86' ' ' VAL . 1.6 mt -116.91 1.37 12.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.635 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -60.67 -52.0 75.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.578 0.704 . . . . 0.0 110.836 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.3 Cg_endo -69.85 -7.01 19.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.62 28.76 62.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.444 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.8 mmt85 -67.04 -36.95 83.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.448 HD13 HD23 ' A' ' 72' ' ' LEU . 4.3 mp -101.49 146.88 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -126.51 153.61 44.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.643 HD22 ' HB3' ' A' ' 28' ' ' GLU . 80.7 mt -108.48 120.14 41.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.4 m-90 54.48 35.66 23.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.38 9.35 81.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.505 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -110.07 135.61 50.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 0.0 110.841 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.9 137.22 58.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.619 HG21 HD12 ' A' ' 79' ' ' LEU . 2.7 pp -130.9 154.35 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.66 147.01 50.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.724 HG11 HD12 ' A' ' 72' ' ' LEU . 17.4 m -116.79 125.13 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -131.66 166.38 21.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.9 m95 -79.45 112.28 16.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.64 -25.62 27.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.419 ' HA ' ' HD2' ' A' ' 91' ' ' PRO . 13.0 pt-20 -122.64 94.15 47.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 90' ' ' GLU . 53.3 Cg_endo -69.83 -47.75 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -126.48 83.76 2.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.752 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.4 OUTLIER -62.95 -176.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.752 ' H ' HG22 ' A' ' 93' ' ' ILE . 8.9 m-20 -95.42 36.76 1.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.524 HG13 ' HB ' ' A' ' 93' ' ' ILE . 13.4 m -88.57 -13.45 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 95' ' ' VAL . 5.0 t70 -33.18 -36.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 99' ' ' VAL . 18.4 mm-40 -113.69 -174.29 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 97' ' ' GLU . 2.0 m-20 -32.91 93.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.5 p -61.19 -27.73 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 10.9 mtt -72.03 165.84 23.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -88.52 86.23 6.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 77.5 p -86.08 154.41 21.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.103 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.3 m -58.84 167.79 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.3 t -112.1 141.07 46.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.19 69.86 0.42 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 89.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.344 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.6 t -172.36 134.09 0.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.0 t -88.31 107.78 18.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -106.95 158.74 16.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.91 0.386 . . . . 0.0 110.864 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -117.14 134.8 54.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.61 -72.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -52.93 128.52 27.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.1 p -97.74 158.88 15.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.98 106.25 2.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -112.48 153.26 27.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.359 . . . . 0.0 110.842 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.1 m -136.56 116.94 13.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.462 ' CG ' ' HA ' ' A' ' 58' ' ' GLU . 30.5 mtm180 -142.97 141.63 31.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 68' ' ' ALA . 42.6 mt -95.23 142.03 28.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.644 ' CD1' ' CE2' ' A' ' 54' ' ' PHE . 52.9 t80 -85.92 102.13 13.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.602 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 10.9 mm -100.51 105.32 17.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -113.83 146.33 18.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.63 46.21 3.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.506 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.519 HG22 HG21 ' A' ' 84' ' ' ILE . 48.9 pt -117.59 151.99 49.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.66 0.743 . . . . 0.0 111.082 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 54.0 Cg_endo -69.7 126.76 13.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.375 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -64.82 -39.38 93.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 12.9 ptp -41.5 -36.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 33.3 mmtt -76.35 173.54 11.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -134.05 165.65 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -47.83 -32.47 6.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.457 ' N ' ' HG2' ' A' ' 22' ' ' ARG . 14.9 pt-20 -68.9 -32.43 72.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -84.02 -37.03 22.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 21.5 mt -64.97 -55.25 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.554 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.6 tp -41.12 -54.25 2.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -53.6 -65.41 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.886 ' HB3' HD22 ' A' ' 79' ' ' LEU . 40.9 mm-40 -45.93 -21.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.98 HG22 HG11 ' A' ' 36' ' ' VAL . 10.6 mm -90.58 -41.5 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.39 -13.23 1.33 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.075 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.81 -50.29 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.999 HG23 HG23 ' A' ' 33' ' ' THR . 5.8 m -64.03 -30.99 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.999 HG23 HG23 ' A' ' 32' ' ' VAL . 38.9 p -137.67 117.35 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -89.13 119.28 29.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.82 16.25 1.83 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.989 HG12 ' CE2' ' A' ' 59' ' ' TYR . 2.5 m -85.16 157.73 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.863 0.364 . . . . 0.0 111.133 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.655 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -115.34 -48.65 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.467 ' HA ' HD13 ' A' ' 26' ' ' LEU . 27.9 t70 -164.42 161.36 21.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.554 HG21 ' HA ' ' A' ' 26' ' ' LEU . 21.7 t -121.33 137.6 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.8 mp -120.89 140.17 45.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.4 151.49 26.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -100.87 155.92 17.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -172.96 147.81 1.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.0 p -95.19 -42.36 8.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.613 ' HB3' ' HD3' ' A' ' 50' ' ' LYS . . . -103.81 -62.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -160.07 105.65 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.065 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -39.63 -25.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 46' ' ' ALA . 57.9 tttt -44.82 -72.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.21 -4.61 22.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.613 ' HD3' ' HB3' ' A' ' 45' ' ' ALA . 10.1 mtpt -111.44 19.92 17.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -48.24 139.38 8.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -78.17 161.32 27.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.15 32.72 2.74 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.644 ' CE2' ' CD1' ' A' ' 12' ' ' PHE . 6.7 t80 -158.11 165.18 35.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.567 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -145.11 152.18 39.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -111.75 110.17 20.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.677 HG11 HG21 ' A' ' 29' ' ' ILE . 5.2 t -97.45 107.55 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.462 ' HA ' ' CG ' ' A' ' 10' ' ' ARG . 2.4 tt0 -86.57 117.93 25.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.989 ' CE2' HG12 ' A' ' 36' ' ' VAL . 88.7 m-85 -103.01 131.95 49.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.655 ' HB3' HD13 ' A' ' 37' ' ' LEU . 15.3 pt-20 -59.41 -48.45 81.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 t -92.66 123.07 35.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -47.96 -30.68 4.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -78.95 -44.68 21.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.662 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -42.11 -27.85 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.545 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -88.91 -43.55 11.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.02 -48.17 82.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -76.28 -20.7 57.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.662 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -73.25 -46.07 52.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.099 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.525 ' HA ' HG21 ' A' ' 86' ' ' VAL . 4.9 ptm180 -63.39 -37.06 85.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -62.2 -8.06 5.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -98.07 -34.93 10.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.476 HD23 HD13 ' A' ' 77' ' ' ILE . 6.2 mt -104.83 4.92 32.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.643 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -61.1 -52.11 74.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.643 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.5 Cg_endo -69.77 -5.56 16.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.45 24.95 76.38 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -66.44 -31.46 72.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.88 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.476 HD13 HD23 ' A' ' 72' ' ' LEU . 3.9 mp -100.71 139.69 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -123.02 146.02 48.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.886 HD22 ' HB3' ' A' ' 28' ' ' GLU . 75.9 mt -107.83 118.5 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.546 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.9 m-90 60.37 35.3 20.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.947 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.54 1.4 65.62 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.481 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 15.4 m170 -105.34 138.11 42.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -73.77 142.91 46.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.519 HG21 HG22 ' A' ' 16' ' ' ILE . 2.3 pp -136.02 160.52 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.87 155.29 48.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.525 HG21 ' HA ' ' A' ' 69' ' ' ARG . 14.5 m -123.33 120.95 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -125.71 170.91 11.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -83.63 104.33 13.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.01 -60.41 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.68 136.08 90.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.621 0.724 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -51.38 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.665 2.244 . . . . 0.0 112.37 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -134.99 92.8 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.755 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.4 OUTLIER -83.27 -177.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.755 ' H ' HG22 ' A' ' 93' ' ' ILE . 3.5 t70 -96.18 33.96 1.66 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 96' ' ' ASP . 20.9 m -74.94 -45.19 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.471 ' N ' HG23 ' A' ' 95' ' ' VAL . 0.5 OUTLIER -44.33 -42.99 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -88.16 -53.22 4.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -133.43 109.35 9.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.7 p -123.98 -34.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -104.69 -177.14 3.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -99.06 118.29 35.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 19.1 p -146.38 121.01 9.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.105 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.9 m -60.43 164.19 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 79.3 p -138.35 137.94 37.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.823 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -152.05 146.2 14.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -13.2 34.38 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.313 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.8 m -63.29 -59.43 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.4 p -77.01 -45.33 27.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.0 p 42.55 42.1 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 110.793 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 m -118.97 96.21 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.22 49.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -151.72 120.3 6.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.868 0.366 . . . . 0.0 110.829 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -52.01 99.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.04 -168.81 12.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -118.56 111.02 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.351 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 m -125.53 118.49 25.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.1 mtm180 -137.51 140.23 41.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.596 HD12 ' CE1' ' A' ' 59' ' ' TYR . 24.2 mt -98.32 136.82 37.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.465 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 49.6 t80 -85.52 102.3 13.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.6 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 11.2 mm -100.12 115.62 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -121.1 143.69 16.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.12 45.73 2.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 pt -121.59 151.02 56.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.641 0.734 . . . . 0.0 111.089 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.6 Cg_endo -69.73 130.08 18.75 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.686 2.258 . . . . 0.0 112.336 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' H ' ' CD ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -68.3 -44.47 75.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.858 179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 18' ' ' LYS . 21.0 ptp -34.97 -38.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 43.7 mmtt -64.65 -176.96 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -140.52 159.91 41.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -48.18 -44.49 32.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -58.18 -35.63 71.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -77.09 -52.85 8.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 27.3 mt -49.09 -48.27 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.43 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.5 tp -51.45 -59.93 3.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -49.23 -43.36 42.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.623 ' HB3' HD22 ' A' ' 79' ' ' LEU . 35.5 mm-40 -65.52 -23.85 66.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.08 HG22 HG11 ' A' ' 36' ' ' VAL . 15.7 mm -86.21 -40.6 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.26 -13.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt -104.66 -50.09 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.82 HG23 HG23 ' A' ' 33' ' ' THR . 10.5 m -67.41 -24.85 32.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.82 HG23 HG23 ' A' ' 32' ' ' VAL . 58.2 p -145.14 114.73 7.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -86.4 128.48 34.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.14 13.87 5.23 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 1.08 HG11 HG22 ' A' ' 29' ' ' ILE . 1.7 m -85.34 155.86 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 111.151 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.775 HD13 ' HB3' ' A' ' 60' ' ' GLU . 9.9 tp -114.92 -49.25 2.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -160.22 160.6 32.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 56' ' ' PHE . 19.4 t -123.24 132.47 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.461 HG21 ' CE2' ' A' ' 42' ' ' TYR . 4.7 mp -109.39 154.65 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.44 ' N ' HG22 ' A' ' 40' ' ' ILE . 2.6 p -126.0 121.67 60.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.461 ' CE2' HG21 ' A' ' 40' ' ' ILE . 21.6 m-85 -132.56 149.12 52.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.521 ' HB1' ' HA ' ' A' ' 51' ' ' ASN . . . -174.37 170.79 3.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' ALA . 15.1 t -37.64 -38.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 47' ' ' ASP . . . -134.18 174.11 10.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.091 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.2 83.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' ALA . 0.2 OUTLIER 37.71 44.55 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.6 ttpt -93.12 -179.7 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 71.5 mtp -52.33 -19.72 2.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -81.87 14.77 2.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.521 ' HA ' ' HB1' ' A' ' 43' ' ' ALA . 9.4 t30 -69.4 97.41 0.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -36.92 -33.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.867 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.434 ' N ' ' HG2' ' A' ' 52' ' ' ARG . . . 109.52 71.8 0.7 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.638 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -161.12 168.56 24.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.909 -179.856 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.638 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -158.39 151.49 22.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.449 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.3 m-85 -101.11 141.04 34.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.781 HG11 HG21 ' A' ' 29' ' ' ILE . 2.7 t -126.42 104.27 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.159 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -83.21 133.97 34.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.917 ' CE2' HG12 ' A' ' 36' ' ' VAL . 89.8 m-85 -117.66 128.0 54.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.775 ' HB3' HD13 ' A' ' 37' ' ' LEU . 16.8 pt-20 -58.57 -44.55 89.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.674 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 3.4 t -88.99 123.29 33.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.427 ' O ' ' ND1' ' A' ' 62' ' ' HIS . 0.2 OUTLIER -47.87 -32.83 6.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -83.9 -41.45 17.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.674 ' HB2' ' HB3' ' A' ' 61' ' ' SER . . . -37.36 -36.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.77 -45.89 20.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.4 -36.03 72.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -87.79 -24.05 23.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -73.67 -30.84 63.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.065 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.589 ' CZ ' ' CE ' ' A' ' 73' ' ' MET . 0.1 OUTLIER -81.23 -46.72 14.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.458 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -52.04 -19.27 1.78 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.813 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -86.42 -45.44 11.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.537 HD11 ' CG2' ' A' ' 33' ' ' THR . 4.1 mt -89.33 -3.23 58.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.638 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 3.3 ttt -59.13 -51.84 78.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.601 0.715 . . . . 0.0 110.927 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.76 3.46 2.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.25 . . . . 0.0 112.358 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 60.12 26.42 63.54 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.483 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -67.45 -30.41 70.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.432 HD13 HD23 ' A' ' 72' ' ' LEU . 5.0 mp -106.3 147.42 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -129.42 145.96 51.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.794 HD12 HG21 ' A' ' 84' ' ' ILE . 65.9 mt -102.21 116.29 32.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.586 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.4 m-90 59.35 36.95 23.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.16 3.99 71.54 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -107.6 134.42 50.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.723 0.297 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -68.05 148.6 50.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.794 HG21 HD12 ' A' ' 79' ' ' LEU . 2.2 pp -138.47 155.45 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.48 144.1 51.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.475 HG12 ' CD1' ' A' ' 13' ' ' ILE . 28.4 m -112.84 133.06 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -137.04 154.67 50.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 9.6 m95 -70.1 112.46 6.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.22 -44.27 5.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.063 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -126.74 140.67 38.18 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 110.876 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.621 2.214 . . . . 0.0 112.382 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -154.9 114.46 3.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.74 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -106.37 -177.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.74 ' H ' HG22 ' A' ' 93' ' ' ILE . 1.9 m-20 -91.89 38.28 0.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.614 HG13 ' HB ' ' A' ' 93' ' ' ILE . 15.3 m -74.36 -29.18 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -66.23 -38.19 87.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -89.55 -66.72 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.78 106.66 10.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 100' ' ' MET . 7.5 p -93.27 -45.66 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.506 ' N ' HG13 ' A' ' 99' ' ' VAL . 15.2 ptp -79.99 164.6 23.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -107.27 39.3 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.0 p -120.99 156.8 31.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.7 p -103.9 134.29 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 94.9 p -169.38 122.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 136.49 75.02 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 140.09 41.59 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.665 2.244 . . . . 0.0 112.329 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 57.9 p -153.88 175.86 12.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.2 m 50.69 44.32 27.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.0 p -87.07 150.51 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.362 . . . . 0.0 110.83 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -120.95 -61.31 1.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.836 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.64 119.53 3.22 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.513 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 m -113.19 84.45 2.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 110.871 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 m -134.62 133.73 40.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.12 46.46 3.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -100.7 156.44 17.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.357 . . . . 0.0 110.881 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.3 t -124.99 130.12 51.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -144.9 142.73 30.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.568 HD21 ' HB1' ' A' ' 65' ' ' ALA . 60.9 mt -102.57 141.74 34.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.445 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 37.4 t80 -88.42 102.22 14.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.76 ' CD1' HG12 ' A' ' 86' ' ' VAL . 19.7 mm -101.91 111.93 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.76 154.11 17.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.92 -9.92 51.62 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.571 HD11 ' C ' ' A' ' 54' ' ' PHE . 13.6 pt -67.9 151.58 97.08 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.639 0.733 . . . . 0.0 111.159 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.523 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.7 Cg_endo -69.74 138.57 38.2 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.294 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' LYS . 13.8 mtmt -65.63 -52.09 54.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.405 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 14.0 ptp -38.14 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 18' ' ' LYS . 9.0 mptt -72.64 152.5 41.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -109.39 172.43 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.707 ' HA ' HD12 ' A' ' 25' ' ' ILE . 7.9 ptm180 -61.93 -48.29 81.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -48.09 -42.7 29.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -69.94 -51.83 29.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 22' ' ' ARG . 30.3 mt -47.02 -56.56 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.508 ' HA ' HG21 ' A' ' 39' ' ' VAL . 4.0 tp -46.53 -62.25 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -52.09 -57.06 10.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.478 ' HA ' ' CE ' ' A' ' 31' ' ' LYS . 10.1 tp10 -53.05 -17.2 1.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.01 HG21 HG11 ' A' ' 57' ' ' VAL . 5.7 mm -94.76 -38.99 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.48 -12.94 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.478 ' CE ' ' HA ' ' A' ' 28' ' ' GLU . 1.8 ptpm? -97.39 -54.96 2.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.847 HG23 HG23 ' A' ' 33' ' ' THR . 34.8 m -63.54 -29.97 48.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.847 HG23 HG23 ' A' ' 32' ' ' VAL . 29.8 p -137.84 113.14 9.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -88.18 123.1 32.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.02 15.1 1.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.838 HG11 HG22 ' A' ' 29' ' ' ILE . 2.0 m -83.96 154.69 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.373 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.545 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.2 tp -112.9 -49.71 2.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -164.02 160.31 21.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.508 HG21 ' HA ' ' A' ' 26' ' ' LEU . 18.3 t -114.79 137.11 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.414 HG21 ' CZ ' ' A' ' 42' ' ' TYR . 5.0 mp -116.72 140.11 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.695 ' O ' HG13 ' A' ' 41' ' ' VAL . 8.2 p -119.74 108.14 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.414 ' CZ ' HG21 ' A' ' 40' ' ' ILE . 29.1 m-85 -104.47 150.0 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 46' ' ' ALA . . . -168.34 109.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.504 ' O ' ' HB3' ' A' ' 45' ' ' ALA . 7.8 t 33.92 48.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 44' ' ' SER . . . 72.15 43.1 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 43' ' ' ALA . . . -169.3 177.38 4.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' HA ' HG13 ' A' ' 41' ' ' VAL . 3.1 p30 -82.24 -57.45 3.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.412 ' HB2' ' CB ' ' A' ' 43' ' ' ALA . 42.7 mttp 38.19 45.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -15.55 13.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -83.91 -23.78 31.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -124.66 60.46 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -150.22 127.42 11.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -99.84 27.3 20.9 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.684 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -155.22 169.29 24.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 0.0 110.88 -179.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.684 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -159.93 151.65 20.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -103.59 128.11 50.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.01 HG11 HG21 ' A' ' 29' ' ' ILE . 2.2 t -115.49 108.21 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -82.08 138.0 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.752 ' CE2' HG12 ' A' ' 36' ' ' VAL . 65.0 m-85 -120.3 129.76 54.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.545 ' HB3' HD13 ' A' ' 37' ' ' LEU . 12.6 pt-20 -55.39 -47.97 75.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.438 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 32.2 t -94.4 127.31 40.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -51.94 -26.71 11.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 tpp180 -83.26 -42.52 17.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.656 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -44.09 -27.32 0.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.568 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -88.14 -43.04 11.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.03 -52.12 66.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.8 ptp -71.35 -23.34 61.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -71.72 -44.16 64.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.11 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.482 ' O ' ' N ' ' A' ' 73' ' ' MET . 4.4 ptm180 -66.59 -43.82 83.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -54.51 -14.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.1 tttp -89.17 -40.64 12.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.537 HD23 HD13 ' A' ' 77' ' ' ILE . 4.8 mt -100.0 1.22 42.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.631 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -58.28 -52.23 76.07 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 0.0 110.864 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.72 0.97 4.85 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.733 2.288 . . . . 0.0 112.316 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.57 33.26 86.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -73.93 -33.5 63.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.537 HD13 HD23 ' A' ' 72' ' ' LEU . 4.9 mp -103.26 139.06 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -117.34 147.58 42.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.665 HD12 HG21 ' A' ' 84' ' ' ILE . 81.5 mt -102.92 114.53 28.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.59 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 2.7 m-90 58.53 41.7 22.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.9 7.04 58.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.523 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 10.4 m170 -109.15 138.16 45.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.749 0.309 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -67.17 143.5 56.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.665 HG21 HD12 ' A' ' 79' ' ' LEU . 2.6 pp -137.1 154.58 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -137.5 140.34 41.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.76 HG12 ' CD1' ' A' ' 13' ' ' ILE . 3.8 m -107.65 132.41 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -135.55 157.03 47.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -74.11 111.06 8.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.82 -57.85 5.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' HB2' ' CG1' ' A' ' 93' ' ' ILE . 5.1 mm-40 -85.16 126.54 67.23 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.654 0.74 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -133.81 84.11 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.678 ' H ' HD12 ' A' ' 93' ' ' ILE . 0.2 OUTLIER -76.08 174.47 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.544 ' H ' HG22 ' A' ' 93' ' ' ILE . 12.4 m-20 -86.14 39.17 0.8 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.481 HG13 ' HB ' ' A' ' 93' ' ' ILE . 16.7 m -96.13 -15.64 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.462 ' C ' ' O ' ' A' ' 95' ' ' VAL . 6.2 t70 -33.12 -38.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 99' ' ' VAL . 26.3 mt-10 -111.22 -174.33 2.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.46 ' C ' ' O ' ' A' ' 97' ' ' GLU . 63.1 m-20 -32.92 93.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.819 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.1 p -59.95 -40.78 83.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 23.2 ptm -106.04 177.01 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -97.38 128.4 44.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 59.4 p -130.97 159.55 37.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.88 120.27 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.5 t -130.78 160.35 34.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 164.25 83.39 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 176.82 6.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.733 2.288 . . . . 0.0 112.311 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.7 t -162.96 146.53 11.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.5 m -136.53 149.86 48.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m 53.73 42.22 31.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.868 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.5 p 47.17 41.62 11.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.38 -168.71 12.93 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -154.2 115.76 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.902 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.3 p -95.16 91.23 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.88 143.7 4.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -77.31 131.64 38.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 91.8 m -84.17 116.7 23.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.465 ' HG2' ' CA ' ' A' ' 58' ' ' GLU . 28.5 mtm105 -139.05 145.48 39.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.76 HD12 ' CE1' ' A' ' 59' ' ' TYR . 48.0 mt -98.61 139.79 33.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -85.21 102.07 13.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.6 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 17.0 mm -102.76 105.49 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.0 147.53 18.92 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.54 54.32 1.35 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 52' ' ' ARG . 20.9 pt -137.29 149.63 66.37 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.631 0.729 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.491 ' HG2' ' CG ' ' A' ' 20' ' ' LYS . 53.7 Cg_endo -69.76 129.52 17.74 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.339 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 20' ' ' LYS . 39.0 mttt -59.27 -38.82 81.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 9.7 ptp -38.17 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.491 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 21.8 mmtt -70.97 172.7 8.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 24' ' ' GLU . 25.6 mtmt -138.13 143.32 40.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.608 ' HB3' HG12 ' A' ' 41' ' ' VAL . 24.8 ptt180 -37.29 -37.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -65.06 -42.67 93.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 21' ' ' LYS . 3.8 mm-40 -73.85 -58.12 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 54.6 mt -39.58 -53.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.4 tp -43.26 -60.7 1.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -46.44 -54.81 8.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.602 ' O ' HG13 ' A' ' 32' ' ' VAL . 20.6 mm-40 -57.19 -19.25 19.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.795 HG21 HG11 ' A' ' 57' ' ' VAL . 21.8 mm -92.96 -37.76 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.191 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.52 -12.42 1.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -102.64 -46.47 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.988 HG23 HG23 ' A' ' 33' ' ' THR . 4.3 m -68.21 -29.32 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.988 HG23 HG23 ' A' ' 32' ' ' VAL . 43.3 p -140.25 115.32 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -87.61 122.21 31.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.441 ' HA3' ' HB1' ' A' ' 64' ' ' ALA . . . 127.56 16.74 2.23 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.971 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.4 m -84.63 156.61 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.89 0.376 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.662 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.9 tp -115.36 -49.78 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -164.32 169.15 17.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 t -122.02 145.67 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.404 HD12 ' HD3' ' A' ' 10' ' ' ARG . 16.7 mt -128.29 122.73 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.123 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.608 HG12 ' HB3' ' A' ' 22' ' ' ARG . 2.8 p -140.99 160.1 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.584 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . 15.8 m-85 -100.19 115.24 29.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.36 -20.77 58.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -76.01 57.86 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 37.51 36.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.085 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.584 ' HB3' ' HB3' ' A' ' 42' ' ' TYR . . . -115.35 -24.68 8.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.466 ' C ' ' O ' ' A' ' 46' ' ' ALA . 15.5 p-10 -32.38 -38.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 46' ' ' ALA . 12.5 ptmt -75.81 108.73 8.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.86 -58.93 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 51' ' ' ASN . 28.0 pttt -126.88 -35.97 2.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.485 ' N ' ' HG3' ' A' ' 50' ' ' LYS . 2.0 t-20 -105.57 170.35 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 16' ' ' ILE . 22.8 ptt180 -61.01 90.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 75.45 125.94 0.18 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.6 ' CD2' ' O ' ' A' ' 13' ' ' ILE . 0.6 OUTLIER -138.52 163.74 31.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.862 0.363 . . . . 0.0 110.871 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.553 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -150.1 155.83 40.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.405 ' CE1' ' HZ ' ' A' ' 54' ' ' PHE . 5.7 m-85 -108.25 133.15 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.795 HG11 HG21 ' A' ' 29' ' ' ILE . 4.4 t -117.41 106.2 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.465 ' CA ' ' HG2' ' A' ' 10' ' ' ARG . 4.9 tt0 -85.4 123.79 31.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.971 ' CE2' HG12 ' A' ' 36' ' ' VAL . 58.4 m-85 -106.27 141.06 38.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.943 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.662 ' HB3' HD13 ' A' ' 37' ' ' LEU . 12.3 pt-20 -66.89 -50.19 63.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.477 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 39.3 t -88.67 118.16 28.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -43.84 -34.41 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -76.89 -44.28 32.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.741 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -43.07 -31.85 0.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.447 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . . . -85.22 -43.68 13.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -59.66 -48.37 81.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -78.17 -13.26 59.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -81.31 -23.86 37.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.55 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 3.6 ptm180 -86.42 -40.53 15.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -60.06 -10.53 4.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 42.9 tttp -95.7 -34.58 11.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.628 HD12 HG11 ' A' ' 86' ' ' VAL . 5.8 mt -102.17 2.1 36.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.646 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -65.14 -51.51 54.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.864 179.84 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.78 3.55 2.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 63.2 30.03 76.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.497 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -69.25 -36.17 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.566 HD13 HD23 ' A' ' 72' ' ' LEU . 4.9 mp -103.87 146.55 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.486 ' NE2' ' HA ' ' A' ' 83' ' ' GLN . 24.6 mm-40 -123.35 161.09 25.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.637 HD12 HG21 ' A' ' 84' ' ' ILE . 39.6 mt -117.63 118.51 32.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.0 m-90 52.95 45.85 27.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 65.14 6.67 27.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -108.76 144.42 36.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.322 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.486 ' HA ' ' NE2' ' A' ' 78' ' ' GLN . 33.4 tt0 -69.66 149.55 47.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.637 HG21 HD12 ' A' ' 79' ' ' LEU . 2.5 pp -143.19 152.6 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.37 138.0 44.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.628 HG11 HD12 ' A' ' 72' ' ' LEU . 15.8 m -107.33 133.49 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.83 164.18 28.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.55 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 17.3 m95 -79.95 112.25 17.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.15 -54.43 29.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.1 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -49.45 140.85 13.11 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.653 0.739 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -48.35 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.65 2.233 . . . . 0.0 112.377 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -160.62 108.18 1.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.757 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -99.58 -175.74 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.757 ' H ' HG22 ' A' ' 93' ' ' ILE . 8.3 t70 -93.31 35.87 1.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 96' ' ' ASP . 33.5 m -86.45 -39.79 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.404 ' N ' HG23 ' A' ' 95' ' ' VAL . 4.8 t0 -46.35 -58.02 4.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 98' ' ' ASP . 11.0 pt-20 -65.29 -41.5 94.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.463 ' N ' ' HG3' ' A' ' 97' ' ' GLU . 3.3 m-20 -170.56 126.28 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 10.0 p -110.02 -37.92 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 9.4 ptm -98.75 166.88 11.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -87.43 123.47 32.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 61.9 p -132.29 151.07 52.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.184 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.9 t -149.8 147.82 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.5 p -161.5 161.95 30.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -118.78 134.78 11.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 85.7 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t -111.54 150.01 30.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 m -151.3 155.65 39.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -135.36 126.61 28.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m -111.03 136.73 49.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.17 -168.02 32.08 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.6 p -83.69 -46.64 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.368 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -57.91 111.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . -142.96 55.58 0.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.439 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 7' ' ' GLY . 23.0 p-10 -37.46 111.55 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 65' ' ' ALA . 1.8 t -133.04 139.33 47.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -137.95 135.01 35.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.62 HD12 ' CE1' ' A' ' 59' ' ' TYR . 33.8 mt -99.14 139.11 35.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -86.16 104.65 15.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.578 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 8.6 mm -104.55 111.98 36.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.33 145.86 16.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.52 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.47 37.89 4.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.416 HD11 ' C ' ' A' ' 54' ' ' PHE . 13.2 pt -111.23 152.57 43.89 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.662 0.744 . . . . 0.0 111.108 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 133.98 26.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' MET . 18.0 mttp -66.02 -50.7 63.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' LYS . 10.5 ptp -37.5 -35.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -62.92 167.72 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -126.44 165.52 18.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.862 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.808 ' HA ' HD12 ' A' ' 25' ' ' ILE . 34.9 ptt180 -58.89 -47.85 83.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 9.1 pt-20 -53.65 -31.26 46.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -81.12 -45.95 15.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 22' ' ' ARG . 19.0 mt -51.41 -54.83 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 38' ' ' ASP . 5.3 tp -46.31 -53.94 9.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -52.82 -60.36 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.635 ' O ' HG13 ' A' ' 32' ' ' VAL . 26.9 mm-40 -50.63 -22.29 1.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.955 HG22 HG11 ' A' ' 36' ' ' VAL . 8.5 mm -89.74 -37.86 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.54 -12.65 2.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.8 -51.19 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.041 HG23 HG23 ' A' ' 33' ' ' THR . 3.7 m -66.26 -30.53 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 1.041 HG23 HG23 ' A' ' 32' ' ' VAL . 50.9 p -134.3 113.22 11.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -87.85 124.15 33.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.04 10.79 5.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.955 HG11 HG22 ' A' ' 29' ' ' ILE . 1.1 m -80.37 151.84 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.143 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.675 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -109.3 -50.51 2.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.436 ' HA ' HD13 ' A' ' 26' ' ' LEU . 28.7 t70 -163.3 162.43 25.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 56' ' ' PHE . 10.5 t -116.56 137.7 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mp -112.4 135.4 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.47 ' CG2' ' HE2' ' A' ' 48' ' ' LYS . 14.8 p -114.77 142.69 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -101.53 121.85 42.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -173.2 -178.61 1.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.1 m -92.89 -48.82 6.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.27 -71.62 0.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.054 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.76 173.42 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -40.65 -61.76 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.543 ' NZ ' HD11 ' A' ' 25' ' ' ILE . 2.4 ptpt -173.84 106.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.7 tmm? -100.12 -57.7 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -114.76 21.2 14.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 52' ' ' ARG . 2.4 t30 -105.08 150.24 25.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.457 ' O ' ' ND2' ' A' ' 51' ' ' ASN . 8.9 ptp180 -46.06 159.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.76 75.28 1.65 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.606 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -141.8 166.41 24.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.876 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.606 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -153.07 157.16 40.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.074 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.454 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.0 m-85 -106.57 139.35 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.638 HG11 HG21 ' A' ' 29' ' ' ILE . 5.6 t -122.74 109.32 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -86.58 136.54 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.906 ' CE2' HG12 ' A' ' 36' ' ' VAL . 78.8 m-85 -122.78 128.63 50.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.675 ' HB3' HD13 ' A' ' 37' ' ' LEU . 11.7 pt-20 -56.34 -48.97 75.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.57 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 4.1 m -88.25 114.86 25.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -42.66 -30.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.2 tpp180 -82.98 -38.14 23.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.713 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -45.64 -27.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.067 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.495 ' O ' HD21 ' A' ' 11' ' ' LEU . . . -92.48 -37.02 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.6 93.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -89.43 -12.74 39.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -82.32 -18.42 42.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' O ' HG21 ' A' ' 86' ' ' VAL . 4.0 ptt-85 -82.23 -36.6 27.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -65.65 -8.3 19.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.827 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -95.89 -19.32 19.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.823 HD12 HG11 ' A' ' 86' ' ' VAL . 1.6 mt -124.06 4.51 8.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.635 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -65.76 -52.03 45.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.525 0.679 . . . . 0.0 110.883 179.816 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.7 Cg_endo -69.79 -2.57 10.41 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.329 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.35 21.83 78.58 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -62.43 -34.68 77.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.5 mp -102.74 147.85 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -127.99 150.06 50.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 28' ' ' GLU . 26.3 mt -103.55 113.01 26.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.5 m-90 59.46 37.88 22.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.71 3.25 66.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -105.97 133.13 51.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.718 0.294 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -61.48 141.28 57.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.8 pp -135.99 154.67 34.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -128.85 144.79 51.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.146 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.823 HG11 HD12 ' A' ' 72' ' ' LEU . 13.5 m -118.78 125.25 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -139.49 164.83 28.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -68.8 127.06 31.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.85 -54.86 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.26 121.88 1.6 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.656 0.741 . . . . 0.0 110.862 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.402 ' HB2' ' CD ' ' A' ' 92' ' ' GLU . 53.9 Cg_endo -69.77 -50.55 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.686 2.258 . . . . 0.0 112.329 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.402 ' CD ' ' HB2' ' A' ' 91' ' ' PRO . 1.1 pm0 -151.06 115.67 5.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.713 ' H ' HD12 ' A' ' 93' ' ' ILE . 0.1 OUTLIER -112.98 161.32 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.105 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -79.06 43.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.463 HG13 ' HB ' ' A' ' 93' ' ' ILE . 16.1 m -58.42 -23.12 21.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -56.39 -53.53 56.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -85.92 -43.85 12.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -146.82 131.17 17.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.1 p -124.5 -37.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.4 mmt -75.81 175.91 8.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -119.57 84.41 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.2 p -123.19 135.06 54.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.5 p -129.83 -31.69 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.4 t -113.28 -50.99 2.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 134.11 75.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.443 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 121.09 7.78 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.393 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 t -61.5 104.09 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.6 m -57.31 -56.76 17.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.921 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.502 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -79.36 114.94 18.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.1 p -164.43 174.77 10.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.87 72.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 t -156.81 124.72 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.3 p -146.63 138.63 24.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.38 -107.19 3.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.535 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 51.45 44.62 28.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 t -103.42 116.89 33.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.1 mtp180 -137.78 144.31 41.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.551 HD12 ' CE1' ' A' ' 59' ' ' TYR . 34.2 mt -97.43 138.17 35.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 87' ' ' ASP . 34.3 t80 -84.98 102.15 12.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 24.0 mm -99.64 108.41 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.171 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.94 147.35 18.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.498 ' O ' HG22 ' A' ' 84' ' ' ILE . . . 92.1 60.36 1.26 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.2 pt -136.4 149.87 68.95 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 111.116 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.504 ' HD2' ' CE3' ' A' ' 80' ' ' TRP . 53.8 Cg_endo -69.73 126.31 13.18 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 19' ' ' MET . 37.7 mttt -61.68 -45.18 95.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.7 ptp -33.5 -40.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.459 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 29.8 mmtt -63.97 -174.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.19 158.79 43.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.514 ' HA ' HD12 ' A' ' 25' ' ' ILE . 16.3 ptt180 -46.09 -43.99 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -56.99 -36.82 70.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -76.46 -51.55 11.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 22' ' ' ARG . 16.9 mt -49.48 -49.49 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.593 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.6 tp -49.99 -58.48 5.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -53.93 -54.14 42.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.568 ' HB3' HD22 ' A' ' 79' ' ' LEU . 1.1 mp0 -54.0 -19.65 5.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.718 HG22 HG11 ' A' ' 36' ' ' VAL . 7.0 mm -95.62 -36.98 7.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.82 -11.93 1.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.069 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.44 -50.33 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.941 HG23 HG23 ' A' ' 33' ' ' THR . 18.0 m -67.12 -33.89 66.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.941 HG23 HG23 ' A' ' 32' ' ' VAL . 34.5 p -135.06 112.82 10.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -87.07 133.9 33.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 121.22 2.72 10.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.45 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.864 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.4 m -69.97 153.64 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.589 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.2 tp -112.95 -48.79 2.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -162.87 160.55 25.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 56' ' ' PHE . 42.7 t -118.84 136.35 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.6 mt -116.23 142.32 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.457 HG21 ' CG ' ' A' ' 47' ' ' ASP . 8.9 p -122.91 159.37 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -108.53 112.23 24.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -167.65 128.55 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.5 p -51.77 -60.4 3.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.21 -53.34 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -123.51 132.38 53.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.065 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.457 ' CG ' HG21 ' A' ' 41' ' ' VAL . 24.8 t70 -87.3 47.14 1.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -118.38 -46.86 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.7 mmt -99.93 -41.54 7.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.6 tptt -85.04 22.21 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.417 ' CG ' ' HG2' ' A' ' 18' ' ' LYS . 59.9 t-20 -94.54 118.11 31.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.3 mmm-85 -72.38 -38.95 68.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.86 51.03 0.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.619 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -161.7 167.63 24.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.619 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -151.9 160.43 43.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.62 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.1 m-85 -112.28 141.33 46.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.681 HG11 HG21 ' A' ' 29' ' ' ILE . 3.4 t -127.01 108.26 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -86.36 123.46 31.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.864 ' CE2' HG12 ' A' ' 36' ' ' VAL . 80.7 m-85 -105.34 135.15 47.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.589 ' HB3' HD13 ' A' ' 37' ' ' LEU . 14.1 pt-20 -56.81 -51.86 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.8 m -94.24 131.96 39.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -56.3 -21.81 26.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -83.59 -43.9 15.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.701 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -46.43 -30.5 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.11 -42.94 15.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.49 -46.06 91.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.428 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 1.6 ptp -80.88 -12.53 59.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -85.46 -19.07 31.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 73' ' ' MET . 14.9 ptt85 -89.67 -41.13 12.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 67' ' ' MET . 2.6 ptp85 -58.6 -12.14 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.8 tttp -93.16 -31.68 14.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.471 ' HB2' ' CG1' ' A' ' 86' ' ' VAL . 7.6 mt -107.19 2.07 24.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.641 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -63.19 -51.9 65.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 110.887 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.74 1.26 4.58 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 64.71 28.07 72.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.498 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -69.35 -37.31 77.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.552 ' O ' HD11 ' A' ' 84' ' ' ILE . 4.4 mp -104.72 136.43 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 78' ' ' GLN . 23.0 mm-40 -116.61 169.33 9.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.584 ' HB3' ' CE3' ' A' ' 80' ' ' TRP . 92.5 mt -121.17 118.12 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.7 m-90 59.67 31.61 20.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.87 4.93 83.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -104.51 135.75 45.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.751 0.31 . . . . 0.0 110.849 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.403 ' HA ' ' OE1' ' A' ' 78' ' ' GLN . 19.0 tt0 -59.84 139.3 57.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.552 HD11 ' O ' ' A' ' 77' ' ' ILE . 2.7 pp -136.35 153.52 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.96 139.94 36.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.473 HG12 ' CD1' ' A' ' 13' ' ' ILE . 19.3 m -103.7 138.45 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.416 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . 11.3 m-20 -139.22 157.58 45.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -73.61 114.17 11.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.97 -59.09 2.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.791 ' OE2' HD11 ' A' ' 93' ' ' ILE . 2.2 pp20? -82.26 128.73 66.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -51.27 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -160.32 105.35 1.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.791 HD11 ' OE2' ' A' ' 90' ' ' GLU . 0.2 OUTLIER -80.83 179.84 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.637 ' H ' HG22 ' A' ' 93' ' ' ILE . 1.0 OUTLIER -87.47 40.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 16.7 m -62.13 -24.03 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.56 -44.64 95.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -87.87 -49.64 6.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -137.27 115.5 11.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.6 p -129.8 -30.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.3 ptp -80.06 174.7 11.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -154.29 153.59 31.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 54.8 p -115.01 168.56 9.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.5 p -141.44 129.61 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.7 m -175.05 116.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -96.24 135.3 12.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 175.28 8.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.698 2.266 . . . . 0.0 112.337 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 t -139.06 173.89 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.7 t -130.81 118.07 20.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.513 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -96.24 -48.25 5.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 t -83.29 109.48 17.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.71 169.09 40.4 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.449 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 t -145.65 166.6 25.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -169.57 129.41 1.01 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.65 -151.71 18.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -89.06 111.44 22.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t -137.65 117.24 12.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -133.73 146.38 50.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 11' ' ' LEU . 18.8 mt -105.37 140.14 38.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.437 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 47.0 t80 -88.14 102.02 14.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.553 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 8.6 mm -100.92 111.2 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -119.32 150.94 17.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.448 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 97.95 28.29 8.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.638 HD11 ' C ' ' A' ' 54' ' ' PHE . 17.1 pt -106.41 153.44 40.47 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.669 0.747 . . . . 0.0 111.115 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 159.67 52.51 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.237 . . . . 0.0 112.331 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 20' ' ' LYS . 2.8 mptt -88.44 -55.63 3.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.3 ptp -38.13 -27.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 18' ' ' LYS . 7.2 mptt -74.93 154.84 37.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -118.52 167.5 11.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.577 ' HA ' HD12 ' A' ' 25' ' ' ILE . 8.2 ptm180 -54.92 -47.04 74.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -47.55 -34.16 7.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -83.53 -43.75 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 22' ' ' ARG . 20.7 mt -58.91 -54.59 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.588 ' HA ' HG21 ' A' ' 39' ' ' VAL . 5.1 tp -44.36 -55.03 5.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -53.43 -64.0 0.97 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.86 ' HB3' HD22 ' A' ' 79' ' ' LEU . 35.5 mm-40 -45.25 -22.79 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.95 HG22 HG11 ' A' ' 36' ' ' VAL . 13.4 mm -90.23 -39.01 11.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.31 -14.22 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -104.32 -51.08 3.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.777 HG22 ' HA ' ' A' ' 29' ' ' ILE . 18.7 m -65.76 -26.68 39.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.76 HG23 HG23 ' A' ' 32' ' ' VAL . 71.9 p -143.64 108.47 4.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -82.61 134.39 35.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 116.17 15.03 7.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.95 HG11 HG22 ' A' ' 29' ' ' ILE . 1.1 m -83.75 157.92 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 111.148 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -117.66 -48.3 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -164.16 158.53 19.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 56' ' ' PHE . 75.9 t -116.98 135.78 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.1 mt -118.85 109.61 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.684 ' O ' HG13 ' A' ' 41' ' ' VAL . 14.3 p -104.31 103.32 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -159.64 167.54 28.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.697 ' HB2' ' HA ' ' A' ' 51' ' ' ASN . . . -133.07 -51.09 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -118.96 -56.23 2.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.56 -60.31 1.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.066 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.88 -179.03 7.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.484 ' HB3' HG13 ' A' ' 41' ' ' VAL . 8.3 p-10 -39.21 111.06 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.96 143.45 42.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 15.0 ptm -56.29 -13.38 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -102.09 22.29 13.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.697 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 25.0 p-10 -80.33 43.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 51' ' ' ASN . 44.7 mtp180 34.39 36.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' ASN . . . 41.71 49.1 5.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.638 ' C ' HD11 ' A' ' 16' ' ' ILE . 1.3 t80 -127.29 168.74 14.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.365 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.638 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -157.53 152.7 25.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.647 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.6 m-85 -105.13 147.83 27.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.591 HG11 HG21 ' A' ' 29' ' ' ILE . 11.1 t -130.51 104.6 10.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -86.56 120.15 27.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.852 ' CE2' HG12 ' A' ' 36' ' ' VAL . 66.2 m-85 -104.2 135.04 46.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.682 ' HB3' HD13 ' A' ' 37' ' ' LEU . 16.2 pt-20 -60.81 -42.48 97.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.688 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 3.2 m -91.91 124.05 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -46.55 -33.66 4.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' ALA . 3.1 tpt180 -84.21 -40.77 17.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.688 ' HB2' ' HB2' ' A' ' 61' ' ' SER . . . -38.16 -26.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -91.87 -41.19 10.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -65.91 -42.85 89.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -82.27 -11.76 58.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.669 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -87.72 -27.31 22.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 73' ' ' MET . 12.0 ptt85 -78.13 -39.93 39.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -54.49 -14.48 1.28 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -91.6 -41.23 10.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.44 ' HB2' HG13 ' A' ' 86' ' ' VAL . 4.0 mt -98.15 5.65 48.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.642 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -64.68 -52.0 54.53 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.557 0.694 . . . . 0.0 110.875 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.9 Cg_endo -69.74 -9.6 26.5 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.714 2.276 . . . . 0.0 112.34 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.04 31.55 61.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -73.41 -35.84 65.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.438 HD13 HD23 ' A' ' 72' ' ' LEU . 5.2 mp -96.52 138.54 21.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -120.8 146.65 46.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.86 HD22 ' HB3' ' A' ' 28' ' ' GLU . 31.8 mt -107.8 119.2 38.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.447 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.3 m-90 60.94 32.77 19.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.4 -1.28 71.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -103.58 136.43 43.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.718 0.294 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -70.15 146.68 50.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.779 HG21 HD12 ' A' ' 79' ' ' LEU . 2.2 pp -135.97 155.45 35.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.1 136.32 43.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.516 HG12 ' CD1' ' A' ' 13' ' ' ILE . 15.5 m -101.38 132.27 47.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.41 149.03 49.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 89' ' ' ALA . 6.1 m95 -63.68 104.77 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 88' ' ' TRP . . . -35.15 -49.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.431 ' OE1' ' HB3' ' A' ' 89' ' ' ALA . 10.2 mp0 -124.9 142.99 42.55 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.664 0.745 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -50.61 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.24 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -162.98 117.43 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.741 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -110.77 -176.61 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.741 ' H ' HG22 ' A' ' 93' ' ' ILE . 2.3 m-20 -91.78 38.91 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.459 HG13 ' HB ' ' A' ' 93' ' ' ILE . 26.5 m -64.96 -36.02 76.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -49.28 -39.03 29.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -74.55 -56.54 4.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -152.01 111.81 4.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.825 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.4 p -105.59 -34.45 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -72.54 172.97 9.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -147.81 121.92 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.8 p -107.71 146.68 31.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.3 p -117.22 -19.58 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.3 m -153.61 131.49 11.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -178.84 129.29 1.36 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 109.09 2.21 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.685 2.257 . . . . 0.0 112.393 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 88.1 p -44.55 132.91 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.8 t -158.97 112.88 2.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 m -39.39 125.86 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 110.85 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.8 p -92.62 161.58 14.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.37 -136.17 13.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -78.95 110.44 14.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -113.91 125.2 53.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.63 -131.3 2.23 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 44.0 m-20 -72.94 146.43 46.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.348 . . . . 0.0 110.88 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.8 t -118.74 118.24 31.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -133.04 135.21 45.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.531 HD12 ' CE1' ' A' ' 59' ' ' TYR . 26.3 mt -96.43 140.86 30.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.482 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 47.8 t80 -87.59 101.94 14.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 15.6 mm -99.31 104.88 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -112.71 157.97 14.59 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.5 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 85.27 45.33 5.92 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.496 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -121.74 151.59 57.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 111.085 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 128.57 16.19 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.653 2.235 . . . . 0.0 112.334 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 19' ' ' MET . 36.5 mttt -55.75 -54.39 45.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.447 ' C ' ' O ' ' A' ' 18' ' ' LYS . 8.4 ptp -34.14 -42.53 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.561 ' HE3' ' CD1' ' A' ' 80' ' ' TRP . 6.6 mptt -62.72 147.14 50.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -118.48 168.37 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -49.88 -40.05 41.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -53.42 -49.07 68.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -73.3 -49.37 27.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 32.5 mt -51.08 -57.11 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HA ' HG21 ' A' ' 39' ' ' VAL . 4.3 tp -45.21 -58.85 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.02 -39.77 82.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.554 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -67.46 -20.0 65.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.849 HG22 HG11 ' A' ' 36' ' ' VAL . 5.2 mm -95.67 -35.75 6.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.38 -7.28 2.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -100.97 -48.32 4.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.621 HG23 HG23 ' A' ' 33' ' ' THR . 25.4 m -72.27 -28.86 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.102 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.632 ' HB ' ' HB1' ' A' ' 68' ' ' ALA . 40.3 p -137.97 111.34 8.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -85.8 125.99 33.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.1 9.36 3.4 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.477 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.979 HG12 ' CE2' ' A' ' 59' ' ' TYR . 2.6 m -80.47 158.59 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 111.121 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.558 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.3 tp -118.03 -47.97 2.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -163.88 160.5 22.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.726 HG13 ' O ' ' A' ' 56' ' ' PHE . 90.0 t -118.13 137.32 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mp -108.34 140.39 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.628 ' O ' HG13 ' A' ' 41' ' ' VAL . 11.5 p -141.65 113.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -100.39 128.54 46.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.597 ' HB3' ' H ' ' A' ' 47' ' ' ASP . . . -154.53 -177.6 6.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.066 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 t -109.11 -30.7 7.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.63 42.62 1.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.054 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.76 37.68 9.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.597 ' H ' ' HB3' ' A' ' 43' ' ' ALA . 0.2 OUTLIER 70.49 45.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -87.28 -179.89 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.1 ttm -60.11 -14.16 15.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.3 tttm -91.43 21.85 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.545 ' CG ' ' N ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER -124.25 170.04 11.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.545 ' N ' ' CG ' ' A' ' 51' ' ' ASN . 8.6 mmm180 -60.23 172.27 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -116.2 65.63 0.32 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.605 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.6 OUTLIER -155.77 167.02 31.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.916 -179.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.605 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -153.85 155.92 36.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.726 ' O ' HG13 ' A' ' 39' ' ' VAL . 5.9 m-85 -109.83 146.12 35.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.707 HG11 HG21 ' A' ' 29' ' ' ILE . 4.2 t -129.01 112.05 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -87.87 115.04 25.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.979 ' CE2' HG12 ' A' ' 36' ' ' VAL . 71.6 m-85 -97.06 134.36 40.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.558 ' HB3' HD13 ' A' ' 37' ' ' LEU . 11.0 pt-20 -59.98 -49.42 77.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 t -91.49 121.18 32.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -46.1 -35.01 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -76.69 -42.75 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.707 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -42.64 -33.57 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.465 ' HB1' ' CD2' ' A' ' 11' ' ' LEU . . . -84.66 -42.16 15.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.13 91.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -82.05 -29.29 31.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.707 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -64.0 -33.83 76.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 73' ' ' MET . 20.4 ptt85 -73.88 -40.26 63.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.42 ' N ' ' HG3' ' A' ' 69' ' ' ARG . 44.8 ttt-85 -56.65 -14.04 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -92.19 -30.53 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.431 HD21 ' HB ' ' A' ' 32' ' ' VAL . 15.2 mt -107.6 -0.27 22.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.646 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -61.08 -51.85 76.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.565 0.698 . . . . 0.0 110.925 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.9 Cg_endo -69.77 2.04 3.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.321 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.66 25.7 65.79 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.8 mtm105 -67.36 -33.03 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.515 HG21 HG11 ' A' ' 32' ' ' VAL . 4.0 mp -101.35 148.33 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -130.97 155.2 47.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.857 HD12 HG21 ' A' ' 84' ' ' ILE . 75.1 mt -112.92 122.87 48.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.1 m-90 53.71 40.05 30.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.97 6.43 56.34 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.47 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -105.32 136.64 44.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.723 0.297 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.28 133.32 49.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.857 HG21 HD12 ' A' ' 79' ' ' LEU . 2.8 pp -127.51 154.96 38.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.156 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -140.15 142.32 35.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 13' ' ' ILE . 15.9 m -106.01 133.52 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.136 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.427 ' HB2' ' CD1' ' A' ' 12' ' ' PHE . 8.5 m-20 -133.69 156.74 47.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -75.44 110.55 9.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.66 155.13 26.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -131.76 113.06 15.09 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.657 0.741 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -50.22 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.672 2.248 . . . . 0.0 112.371 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -150.43 114.46 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.743 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -89.48 -177.32 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.743 ' H ' HG22 ' A' ' 93' ' ' ILE . 10.0 t0 -92.87 33.97 1.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 96' ' ' ASP . 28.8 m -84.61 -41.41 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.135 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.423 ' N ' HG23 ' A' ' 95' ' ' VAL . 51.7 m-20 -56.9 -43.2 81.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -77.05 -57.91 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -134.95 105.69 6.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.9 p -103.38 -26.52 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -130.41 179.44 5.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -91.47 90.23 7.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 104' ' ' SER . 5.4 t -122.42 -179.79 4.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.139 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 103' ' ' VAL . 9.0 p 40.0 26.79 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 102' ' ' THR . 69.1 p -52.31 157.0 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -70.41 -143.0 0.21 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 157.87 58.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.73 2.287 . . . . 0.0 112.365 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.5 t -167.83 118.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.3 t -63.15 -56.27 18.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.1 m -107.14 -59.28 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -51.3 -50.18 59.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.822 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.1 -117.95 1.17 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.447 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -40.37 -44.78 2.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 t -84.55 81.23 8.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.94 145.07 23.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -53.65 102.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 86.0 m -135.61 117.36 15.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -141.39 142.57 33.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.534 HD12 ' CE1' ' A' ' 59' ' ' TYR . 41.2 mt -99.84 137.6 38.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -84.87 101.56 12.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.743 ' CD1' HG12 ' A' ' 86' ' ' VAL . 21.9 mm -100.87 108.32 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -115.81 150.53 18.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.22 52.06 2.11 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.437 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.5 pt -127.28 151.56 74.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.621 0.724 . . . . 0.0 111.115 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 129.45 17.67 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.677 2.251 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.4 mttt -57.79 -45.61 85.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.435 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 9.9 ptp -46.67 -25.41 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.536 ' HG2' ' CD2' ' A' ' 80' ' ' TRP . 5.8 mptt -84.39 116.93 23.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.489 ' HE3' ' N ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -83.12 173.64 11.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.533 ' HA ' HD12 ' A' ' 25' ' ' ILE . 12.2 ptt85 -57.62 -39.59 77.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -53.49 -40.3 65.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.24 -46.84 21.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 22' ' ' ARG . 29.1 mt -54.11 -56.91 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.626 ' HA ' HG21 ' A' ' 39' ' ' VAL . 3.4 tp -44.22 -65.93 0.45 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -50.52 -46.69 57.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.554 ' HG2' ' CZ2' ' A' ' 80' ' ' TRP . 0.2 OUTLIER -61.8 -18.25 59.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.751 HG21 HG11 ' A' ' 57' ' ' VAL . 9.3 mm -96.31 -36.9 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.42 -7.77 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -101.49 -48.78 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.668 HG23 HG23 ' A' ' 33' ' ' THR . 27.3 m -71.28 -30.62 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.668 HG23 HG23 ' A' ' 32' ' ' VAL . 42.2 p -137.55 109.69 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.6 134.84 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.65 10.17 7.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.822 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.6 m -78.4 161.53 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 111.147 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.666 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -121.95 -48.38 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -164.32 146.75 8.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.626 HG21 ' HA ' ' A' ' 26' ' ' LEU . 53.0 t -110.16 131.27 61.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 41' ' ' VAL . 5.3 mp -106.4 155.9 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.462 ' N ' HG22 ' A' ' 40' ' ' ILE . 2.7 p -137.96 107.23 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.436 ' O ' ' CG ' ' A' ' 42' ' ' TYR . 4.8 p90 -160.32 124.87 3.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.46 74.11 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.6 m 45.35 38.46 3.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -175.17 179.99 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 48' ' ' LYS . . . -74.12 109.69 7.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 5.0 p-10 -39.1 96.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' ALA . 24.6 mmmt -142.72 177.68 8.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -12.35 2.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.35 19.6 8.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -68.16 148.03 51.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -50.21 -59.65 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 143.41 50.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.615 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -153.4 167.44 29.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.94 0.4 . . . . 0.0 110.842 -179.832 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.615 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -151.61 157.71 42.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.452 ' O ' HG13 ' A' ' 39' ' ' VAL . 5.0 m-85 -111.58 135.8 51.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.751 HG11 HG21 ' A' ' 29' ' ' ILE . 6.1 t -120.87 108.93 23.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -85.22 125.75 33.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.822 ' CE2' HG12 ' A' ' 36' ' ' VAL . 69.8 m-85 -108.6 133.52 52.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.666 ' HB3' HD13 ' A' ' 37' ' ' LEU . 16.8 pt-20 -61.67 -44.68 96.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.441 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 3.1 m -93.32 124.68 37.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.65 ' CD2' HG21 ' A' ' 99' ' ' VAL . 23.2 t60 -49.84 -32.52 14.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -80.37 -41.78 24.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.709 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -42.32 -30.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.468 ' HB1' HD21 ' A' ' 11' ' ' LEU . . . -85.6 -45.26 11.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.82 88.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -82.29 -10.89 58.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -86.26 -19.41 29.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 73' ' ' MET . 3.5 ptm180 -88.38 -44.18 10.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -53.87 -15.54 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -87.44 -38.7 15.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.421 HD21 ' HB ' ' A' ' 32' ' ' VAL . 5.6 mt -103.78 1.83 32.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.635 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -61.1 -52.12 73.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.822 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.8 Cg_endo -69.76 3.0 3.02 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.665 2.243 . . . . 0.0 112.371 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.69 33.44 85.11 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.458 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.5 mtt-85 -72.7 -48.46 38.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mp -92.29 142.35 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -122.06 157.07 32.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.598 HD12 HG21 ' A' ' 84' ' ' ILE . 97.6 mt -109.07 116.99 33.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.592 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.5 m-90 58.16 41.06 24.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.71 8.71 60.92 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -108.58 137.13 47.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -66.68 139.46 57.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.598 HG21 HD12 ' A' ' 79' ' ' LEU . 2.6 pp -134.42 153.39 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.53 146.52 42.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.108 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.743 HG12 ' CD1' ' A' ' 13' ' ' ILE . 3.5 m -110.49 138.24 39.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -137.39 151.5 48.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.433 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 17.8 m95 -70.58 115.65 10.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.08 -62.41 1.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -82.23 137.29 45.88 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.664 0.745 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -50.1 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.689 2.259 . . . . 0.0 112.395 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -157.96 115.04 2.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.731 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -103.03 -175.98 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.154 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.731 ' H ' HG22 ' A' ' 93' ' ' ILE . 0.7 OUTLIER -94.27 38.17 1.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.833 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.524 HG12 HG23 ' A' ' 99' ' ' VAL . 28.3 m -87.63 -37.74 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -39.01 -60.63 0.84 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.404 ' HG3' ' CG ' ' A' ' 98' ' ' ASP . 13.3 pt-20 -66.89 -48.52 68.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.404 ' CG ' ' HG3' ' A' ' 97' ' ' GLU . 0.0 OUTLIER -157.63 139.02 13.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.65 HG21 ' CD2' ' A' ' 62' ' ' HIS . 14.5 p -124.79 -41.66 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.442 ' N ' HG13 ' A' ' 99' ' ' VAL . 13.7 ptp -95.05 176.56 6.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -116.73 126.14 52.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 58.3 p -62.82 172.87 1.51 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.168 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.3 t -138.98 121.2 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.7 p -166.76 158.61 13.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 166.54 77.42 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 146.95 61.53 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.677 2.251 . . . . 0.0 112.321 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.1 p -129.41 96.89 4.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.5 t -167.64 150.56 5.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -139.41 136.84 35.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -95.43 106.93 19.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.59 149.85 14.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -152.55 169.13 23.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t -71.51 135.54 47.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.15 -84.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -118.95 148.19 43.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.802 0.334 . . . . 0.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.487 ' SG ' ' HB3' ' A' ' 65' ' ' ALA . 1.8 t -98.06 121.03 39.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -140.77 133.26 28.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.461 ' CD2' ' HB1' ' A' ' 65' ' ' ALA . 32.5 mt -94.64 133.99 37.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.582 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 48.1 t80 -84.97 102.37 13.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.561 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 6.3 mm -102.16 115.67 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -123.8 143.38 14.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.462 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 106.93 36.94 2.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.526 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.539 HD11 ' C ' ' A' ' 54' ' ' PHE . 24.7 pt -113.8 153.75 45.95 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.647 0.736 . . . . 0.0 111.129 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 144.39 53.87 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 19' ' ' MET . 33.6 mttt -71.79 -54.01 11.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 18' ' ' LYS . 14.8 ptp -34.94 -37.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -62.48 176.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -142.89 167.68 21.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.663 ' HA ' HD12 ' A' ' 25' ' ' ILE . 29.4 ptt180 -56.68 -46.15 81.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -50.81 -39.98 54.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -75.88 -51.34 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 22' ' ' ARG . 16.9 mt -48.12 -56.31 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.442 ' HA ' HG21 ' A' ' 39' ' ' VAL . 4.4 tp -42.39 -63.71 0.72 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -47.21 -55.23 8.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.722 ' O ' HG13 ' A' ' 32' ' ' VAL . 25.2 mm-40 -54.03 -22.08 9.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.083 HG22 HG11 ' A' ' 36' ' ' VAL . 21.9 mm -90.13 -40.64 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.81 -13.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -104.48 -49.55 3.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.951 HG23 HG23 ' A' ' 33' ' ' THR . 6.0 m -65.35 -30.02 48.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.951 HG23 HG23 ' A' ' 32' ' ' VAL . 62.8 p -141.24 112.23 7.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -84.15 127.54 33.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 124.42 8.21 6.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 1.083 HG11 HG22 ' A' ' 29' ' ' ILE . 2.1 m -78.31 155.19 5.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.3 tp -113.46 -49.45 2.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -163.22 161.19 24.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.442 HG21 ' HA ' ' A' ' 26' ' ' LEU . 18.0 t -120.75 142.81 35.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.5 mp -121.3 146.14 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.3 p -121.23 139.4 48.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -110.3 141.09 43.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -173.48 144.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 m -51.84 -26.54 10.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' ASP . . . -127.06 176.82 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.099 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.74 81.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 45' ' ' ALA . 1.5 p-10 37.82 41.0 0.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.476 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 13.3 tttp -48.74 178.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -65.54 -14.44 61.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 mmtt -92.95 19.88 7.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -39.09 120.53 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -38.97 157.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.0 42.6 3.09 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.647 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.6 OUTLIER -154.04 169.2 24.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.909 0.385 . . . . 0.0 110.818 -179.826 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.647 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -155.96 158.53 38.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.065 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -111.26 129.98 55.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.838 HG11 HG21 ' A' ' 29' ' ' ILE . 2.2 t -117.01 104.78 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -83.02 139.79 33.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.88 ' CE2' HG12 ' A' ' 36' ' ' VAL . 84.1 m-85 -124.99 128.99 49.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.586 ' HB3' HD13 ' A' ' 37' ' ' LEU . 14.3 pt-20 -56.57 -48.38 77.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.557 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 44.8 t -90.15 115.27 27.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -42.9 -28.12 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -84.42 -41.69 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.557 ' HB2' ' HB3' ' A' ' 61' ' ' SER . . . -41.06 -33.42 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.487 ' HB3' ' SG ' ' A' ' 9' ' ' CYS . . . -82.6 -44.61 15.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.66 -36.12 71.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -87.64 -26.08 23.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.594 ' HB1' ' HB ' ' A' ' 33' ' ' THR . . . -71.66 -35.62 70.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -74.93 -37.39 62.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' N ' ' HD3' ' A' ' 69' ' ' ARG . 59.1 ttt180 -60.2 -10.41 4.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -98.57 -33.07 11.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.523 HD23 HD13 ' A' ' 77' ' ' ILE . 19.0 mt -98.04 -4.87 35.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.65 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -59.01 -51.47 81.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.526 0.679 . . . . 0.0 110.9 179.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.65 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.4 Cg_endo -69.82 4.07 2.43 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.667 2.245 . . . . 0.0 112.348 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.97 22.48 48.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.454 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -64.51 -23.44 67.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.523 HD13 HD23 ' A' ' 72' ' ' LEU . 4.6 mp -109.9 137.67 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -120.18 136.97 54.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 28' ' ' GLU . 85.5 mt -96.35 117.13 30.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.544 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.3 m-90 59.67 37.83 22.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.78 2.58 65.11 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -108.47 137.34 46.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.683 0.278 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -73.56 150.62 41.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.551 HG21 HD12 ' A' ' 79' ' ' LEU . 2.0 pp -139.31 163.11 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -133.18 148.32 52.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.085 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.545 HG22 ' HA ' ' A' ' 73' ' ' MET . 31.2 m -114.22 133.14 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.083 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -135.31 156.7 48.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -79.76 95.06 5.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -48.81 -57.33 6.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.413 ' HG3' HD11 ' A' ' 93' ' ' ILE . 10.4 pt-20 -51.62 123.27 23.04 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.737 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.232 . . . . 0.0 112.35 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -155.27 111.63 3.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.747 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -90.89 -178.09 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.747 ' H ' HG22 ' A' ' 93' ' ' ILE . 13.4 t0 -94.82 32.74 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.577 HG13 ' HB ' ' A' ' 93' ' ' ILE . 17.0 m -56.35 -25.3 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -62.69 -48.39 79.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -90.72 -55.76 3.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -130.11 104.71 7.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 100' ' ' MET . 13.4 p -100.42 -43.83 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.486 ' N ' HG13 ' A' ' 99' ' ' VAL . 14.4 ptt? -96.94 172.34 7.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -129.24 154.71 46.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.1 t -141.12 -176.76 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.8 p -79.62 139.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.1 m -128.52 123.48 33.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 89.86 117.72 1.76 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 116.58 4.62 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.388 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.2 m -79.85 100.44 8.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.5 t 43.33 48.13 5.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -117.63 106.72 13.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.866 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.3 m -87.08 -51.22 6.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.7 -75.0 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -144.05 144.14 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.82 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -110.75 110.74 21.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.88 -138.04 7.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -116.62 135.49 53.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.329 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' ' 65' ' ' ALA . 1.8 t -106.88 121.18 43.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -128.13 130.04 47.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.682 HD12 ' CE1' ' A' ' 59' ' ' TYR . 56.9 mt -93.64 136.11 34.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -84.9 101.8 12.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 18.1 mm -100.67 102.46 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.61 147.99 17.6 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.491 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.13 47.95 2.52 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.533 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.531 HD11 ' C ' ' A' ' 54' ' ' PHE . 13.4 pt -126.44 152.81 74.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.593 0.711 . . . . 0.0 111.148 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HD2' ' CZ3' ' A' ' 80' ' ' TRP . 53.6 Cg_endo -69.79 130.38 19.2 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.32 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 19' ' ' MET . 56.2 mttt -69.19 -44.39 72.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.43 ' C ' ' O ' ' A' ' 18' ' ' LYS . 8.3 ptp -36.25 -38.86 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' CG ' ' HG2' ' A' ' 17' ' ' PRO . 45.8 mmtt -63.31 175.91 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.57 155.53 43.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.676 ' HA ' HD12 ' A' ' 25' ' ' ILE . 13.1 ptm180 -47.33 -37.44 11.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -62.95 -38.73 92.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -72.74 -43.57 62.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.676 HD12 ' HA ' ' A' ' 22' ' ' ARG . 24.4 mt -55.82 -58.61 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.563 ' HA ' HG21 ' A' ' 39' ' ' VAL . 4.2 tp -40.79 -54.14 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.06 -61.25 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.615 ' HB3' HD22 ' A' ' 79' ' ' LEU . 29.2 mm-40 -47.84 -20.01 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.774 HG22 HG11 ' A' ' 36' ' ' VAL . 6.1 mm -93.61 -39.23 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.173 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.62 -12.51 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.081 179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.3 ptpt -100.37 -52.11 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.976 HG23 HG23 ' A' ' 33' ' ' THR . 5.0 m -65.03 -23.81 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.976 HG23 HG23 ' A' ' 32' ' ' VAL . 52.1 p -145.74 120.47 9.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -93.18 129.15 39.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.11 15.69 4.17 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.889 HG12 ' CE2' ' A' ' 59' ' ' TYR . 1.5 m -83.34 155.91 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 0.0 111.163 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.1 tp -114.21 -49.42 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -162.6 163.98 26.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.563 HG21 ' HA ' ' A' ' 26' ' ' LEU . 13.6 t -120.96 138.16 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.9 mp -111.69 146.68 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 41' ' ' VAL . 8.7 p -126.11 126.98 70.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -102.31 166.45 10.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -167.08 170.55 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 t -57.78 -54.02 51.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.85 -62.13 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -156.92 162.51 39.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 47' ' ' ASP . 5.9 p-10 -48.79 107.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -145.36 179.87 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.9 ttm -64.85 -14.97 61.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.919 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.4 ttpm? -96.24 20.97 9.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -50.2 -178.54 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -92.51 164.07 13.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.69 52.27 2.76 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.635 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.8 OUTLIER -165.76 169.47 15.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.844 -179.852 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.635 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -156.44 160.96 40.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.082 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.404 ' CE1' ' HZ ' ' A' ' 54' ' ' PHE . 5.8 m-85 -115.59 140.83 48.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.773 HG11 HG21 ' A' ' 29' ' ' ILE . 2.6 t -124.39 110.45 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -88.8 114.83 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.889 ' CE2' HG12 ' A' ' 36' ' ' VAL . 57.1 m-85 -95.09 142.99 26.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.537 ' HB3' HD13 ' A' ' 37' ' ' LEU . 15.1 pt-20 -60.46 -50.19 74.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 60' ' ' GLU . 31.0 t -100.67 126.81 47.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -48.48 -28.51 3.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.496 ' HD2' ' N ' ' A' ' 64' ' ' ALA . 2.7 tmm_? -74.31 -52.08 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.651 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -44.14 -22.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.525 ' HB3' ' SG ' ' A' ' 9' ' ' CYS . . . -90.56 -42.83 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.467 ' O ' ' CG ' ' A' ' 69' ' ' ARG . . . -60.89 -42.31 97.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -81.19 -25.73 36.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -66.88 -29.82 69.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.085 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 73' ' ' MET . 1.8 ptp180 -77.7 -43.69 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.2 ttt180 -55.77 -13.64 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -91.67 -32.02 15.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.682 HD12 HG11 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -110.16 4.64 21.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.636 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 4.8 ttm -65.9 -52.15 43.04 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.574 0.702 . . . . 0.0 110.839 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.5 Cg_endo -69.71 2.09 3.81 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.717 2.278 . . . . 0.0 112.333 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.466 ' O ' ' NE2' ' A' ' 78' ' ' GLN . . . 64.51 34.42 89.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -74.82 -34.16 62.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.773 0.32 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.487 ' O ' HD11 ' A' ' 84' ' ' ILE . 5.1 mp -111.17 144.33 19.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.466 ' NE2' ' O ' ' A' ' 75' ' ' GLY . 29.0 mm-40 -122.38 171.49 9.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.665 HD12 HG21 ' A' ' 84' ' ' ILE . 90.6 mt -121.23 113.9 20.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.577 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 5.8 m-90 61.27 31.83 19.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.48 0.21 83.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -100.09 133.3 44.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -60.66 136.31 58.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.665 HG21 HD12 ' A' ' 79' ' ' LEU . 2.6 pp -131.31 153.43 38.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.16 147.5 47.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.682 HG11 HD12 ' A' ' 72' ' ' LEU . 19.7 m -113.09 127.68 70.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.47 158.48 39.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.458 ' CE2' ' NE ' ' A' ' 69' ' ' ARG . 19.6 m95 -78.35 100.06 6.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -44.75 -71.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -90.27 113.49 57.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -50.92 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.665 2.243 . . . . 0.0 112.353 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -151.16 109.36 3.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.742 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -86.8 -177.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.742 ' H ' HG22 ' A' ' 93' ' ' ILE . 5.4 m-20 -94.42 37.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.468 HG23 ' N ' ' A' ' 96' ' ' ASP . 29.6 m -74.82 -44.13 45.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.468 ' N ' HG23 ' A' ' 95' ' ' VAL . 19.7 t70 -43.1 -42.82 4.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -83.95 -59.98 2.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.53 107.05 9.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.4 p -127.4 -37.68 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.03 170.93 3.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -143.3 112.68 6.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.2 p -104.8 152.61 22.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.1 t -132.24 129.08 59.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.6 t -145.76 148.46 32.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 147.02 73.87 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 147.94 63.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.65 2.233 . . . . 0.0 112.322 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 43.4 t -120.94 81.72 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.7 m -70.49 130.57 42.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -86.78 94.53 9.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.822 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.0 p -56.88 162.7 2.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.69 149.34 17.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.547 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 m -54.81 159.87 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.852 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 p -91.36 130.3 37.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.99 -127.32 0.95 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.538 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -74.5 128.89 36.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.792 0.33 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 4.6 m -132.38 123.14 26.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 mtt180 -134.66 146.95 50.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.595 HD12 ' CE1' ' A' ' 59' ' ' TYR . 91.0 mt -104.27 141.28 36.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.57 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 59.7 t80 -84.95 102.15 12.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.59 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 15.6 mm -100.02 110.2 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -122.4 154.7 16.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.96 26.07 13.38 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.514 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.445 HD11 ' C ' ' A' ' 54' ' ' PHE . 35.3 pt -98.71 152.79 38.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.641 0.734 . . . . 0.0 111.113 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.473 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.4 Cg_endo -69.79 148.66 65.39 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 19' ' ' MET . 63.0 mttt -71.46 -57.17 4.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' LYS . 7.8 ptp -37.72 -33.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 mptt -70.52 153.05 43.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt -125.11 158.49 33.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.866 ' HA ' HD12 ' A' ' 25' ' ' ILE . 16.6 ptt85 -43.82 -46.96 8.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -45.84 -52.74 10.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -67.67 -44.66 77.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.866 HD12 ' HA ' ' A' ' 22' ' ' ARG . 43.9 mt -49.03 -53.02 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 tp -48.01 -63.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -48.62 -43.82 36.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.716 ' HB3' HD22 ' A' ' 79' ' ' LEU . 30.6 mm-40 -66.99 -20.66 65.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.07 HG22 HG11 ' A' ' 36' ' ' VAL . 8.2 mm -89.36 -41.8 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.57 -11.08 1.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -103.72 -48.8 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.948 HG23 HG23 ' A' ' 33' ' ' THR . 10.2 m -70.95 -23.8 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.948 HG23 HG23 ' A' ' 32' ' ' VAL . 44.4 p -145.75 109.5 4.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -83.36 129.53 35.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.12 4.87 8.29 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.512 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 1.07 HG11 HG22 ' A' ' 29' ' ' ILE . 2.0 m -74.09 154.73 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 60' ' ' GLU . 9.9 tp -114.51 -49.75 2.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -163.63 157.57 19.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 56' ' ' PHE . 55.6 t -113.79 138.11 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.39 139.13 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 8.2 p -116.37 135.02 57.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -102.62 117.25 34.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 46' ' ' ALA . . . -174.62 166.81 3.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.089 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.2 t -77.87 88.51 4.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . 38.41 36.92 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.409 ' O ' ' HB1' ' A' ' 43' ' ' ALA . . . -170.21 121.26 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.75 38.42 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.22 -42.28 1.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 11.0 tpt -104.65 -53.32 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -67.74 -35.44 78.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -44.99 123.96 4.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.9 mtt-85 -73.09 -39.34 65.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.53 30.78 0.33 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -136.36 169.14 18.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.843 0.354 . . . . 0.0 110.913 -179.842 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.664 ' N ' ' CD1' ' A' ' 54' ' ' PHE . . . -152.1 163.92 38.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.455 ' O ' HG13 ' A' ' 39' ' ' VAL . 6.7 m-85 -116.71 131.94 56.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.831 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.806 HG11 HG21 ' A' ' 29' ' ' ILE . 3.1 t -117.21 109.55 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.148 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -87.42 131.12 34.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.716 ' CE2' HG12 ' A' ' 36' ' ' VAL . 58.7 m-85 -114.17 133.02 55.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.648 ' HB3' HD13 ' A' ' 37' ' ' LEU . 13.2 pt-20 -61.7 -48.19 81.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.48 ' HB3' ' HB2' ' A' ' 64' ' ' ALA . 2.3 t -88.37 117.35 27.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -38.43 -37.28 0.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' ALA . 3.5 tpt180 -78.34 -44.51 24.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.616 ' O ' ' HB2' ' A' ' 68' ' ' ALA . . . -36.6 -32.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.083 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.498 ' O ' HD11 ' A' ' 11' ' ' LEU . . . -83.94 -41.85 16.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' ARG . . . -66.25 -51.11 60.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.1 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 2.6 ptp -70.59 -12.43 61.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 64' ' ' ALA . . . -86.37 -36.56 19.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.576 ' HD3' ' CZ2' ' A' ' 88' ' ' TRP . 0.9 OUTLIER -73.77 -37.38 65.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 13.9 ttm180 -61.24 -8.98 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.5 tttt -96.2 -31.63 12.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.626 HD12 HG11 ' A' ' 86' ' ' VAL . 1.2 mt -107.56 -3.58 19.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.633 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -53.77 -52.17 69.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 110.86 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.8 Cg_endo -69.73 -6.26 18.16 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.679 2.252 . . . . 0.0 112.365 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.81 29.07 67.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -70.45 -27.75 64.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.748 0.308 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.53 HD13 HD23 ' A' ' 72' ' ' LEU . 5.0 mp -110.21 139.8 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -120.82 156.79 31.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.716 HD22 ' HB3' ' A' ' 28' ' ' GLU . 95.5 mt -110.84 117.37 33.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.54 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 4.6 m-90 57.99 35.08 24.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.25 3.74 77.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.473 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 11.8 m170 -103.44 134.44 46.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.711 0.291 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -65.29 134.16 53.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.636 HG21 HD12 ' A' ' 79' ' ' LEU . 2.8 pp -129.6 154.39 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.62 148.97 49.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.626 HG11 HD12 ' A' ' 72' ' ' LEU . 14.7 m -117.06 126.19 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -127.0 153.99 45.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.576 ' CZ2' ' HD3' ' A' ' 69' ' ' ARG . 10.7 m95 -70.04 102.49 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.795 ' HB3' ' OE2' ' A' ' 90' ' ' GLU . . . -57.78 -53.15 61.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.048 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.795 ' OE2' ' HB3' ' A' ' 89' ' ' ALA . 0.3 OUTLIER -154.18 125.77 3.7 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.643 0.735 . . . . 0.0 110.905 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -50.63 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.733 2.288 . . . . 0.0 112.391 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -160.73 109.43 1.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.749 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -92.44 -177.02 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.749 ' H ' HG22 ' A' ' 93' ' ' ILE . 12.4 t0 -94.55 37.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.513 HG13 ' HB ' ' A' ' 93' ' ' ILE . 26.2 m -65.52 -35.41 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -50.16 -52.5 34.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -74.47 -50.97 16.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -148.28 124.97 11.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.427 HG13 ' HG3' ' A' ' 100' ' ' MET . 7.5 p -120.41 -39.78 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.427 ' HG3' HG13 ' A' ' 99' ' ' VAL . 33.8 mtp -96.55 167.29 11.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -107.64 80.21 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 61.9 p -79.26 126.75 31.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.5 p -108.8 -27.94 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.168 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 81.0 p -172.3 167.99 5.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -151.05 66.85 0.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 167.38 24.53 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.245 . . . . 0.0 112.347 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.4 t -136.7 144.03 43.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.4 p -68.34 -18.27 64.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -92.72 132.03 37.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.809 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m -46.49 160.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.85 160.41 11.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 m -119.31 101.6 8.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 p -155.44 115.08 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.12 -61.62 2.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.543 ' ND2' HG11 ' A' ' 95' ' ' VAL . 2.7 t30 -48.95 108.75 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.836 0.351 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.42 ' SG ' ' O ' ' A' ' 9' ' ' CYS . 1.8 p -138.02 126.15 22.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.724 ' HD3' HD12 ' A' ' 40' ' ' ILE . 35.9 mtm180 -129.76 150.27 51.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.42 HD12 ' CE1' ' A' ' 59' ' ' TYR . 11.8 mt -105.0 137.45 42.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.517 ' CD2' ' CE2' ' A' ' 54' ' ' PHE . 60.3 t80 -84.75 102.2 12.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 8.6 mm -103.06 114.48 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.4 145.04 15.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.482 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 104.1 17.27 16.51 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.518 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.0 pt -93.18 151.12 40.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.603 0.716 . . . . 0.0 111.154 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HB3' ' CE1' ' A' ' 82' ' ' HIS . 53.9 Cg_endo -69.73 133.08 24.74 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 mttp -62.27 -50.51 71.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.48 ' HG3' ' CD ' ' A' ' 20' ' ' LYS . 19.8 ptp -37.98 -37.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.48 ' CD ' ' HG3' ' A' ' 19' ' ' MET . 6.4 mptt -65.75 155.88 34.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt -118.78 164.36 15.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.698 ' HA ' HD12 ' A' ' 25' ' ' ILE . 20.8 ptt180 -53.16 -43.76 67.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.1 -37.79 62.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -77.67 -50.63 12.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 22' ' ' ARG . 19.8 mt -47.24 -55.19 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -44.37 -56.27 4.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -58.65 -50.98 71.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.724 ' CG ' HD22 ' A' ' 79' ' ' LEU . 4.7 tp10 -56.61 -21.28 25.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.943 HG21 HG11 ' A' ' 57' ' ' VAL . 10.3 mm -92.5 -40.86 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.37 -11.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -103.37 -48.28 4.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.763 HG22 ' HA ' ' A' ' 29' ' ' ILE . 27.0 m -68.86 -29.42 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.699 HG23 HG23 ' A' ' 32' ' ' VAL . 69.2 p -140.22 112.75 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -85.22 130.65 34.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.62 18.05 4.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.869 HG11 HG22 ' A' ' 29' ' ' ILE . 1.5 m -87.48 158.38 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.665 HD13 ' HB3' ' A' ' 60' ' ' GLU . 10.7 tp -115.64 -48.25 2.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -163.56 170.32 17.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.76 139.78 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.724 HD12 ' HD3' ' A' ' 10' ' ' ARG . 17.5 mt -121.77 132.04 71.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 41' ' ' VAL . 8.7 p -119.94 120.48 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -105.99 138.37 42.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.465 ' HB1' ' ND2' ' A' ' 51' ' ' ASN . . . -138.83 134.45 33.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 43' ' ' ALA . 77.4 p -35.62 -49.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.5 -50.93 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 47' ' ' ASP . . . -169.63 132.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -38.14 115.14 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -169.88 165.83 9.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.8 mtp -58.24 -21.43 48.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -87.98 20.63 3.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.465 ' ND2' ' HB1' ' A' ' 43' ' ' ALA . 14.0 m120 -124.02 179.93 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -62.85 169.25 3.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.66 78.99 0.28 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.621 ' CG ' ' N ' ' A' ' 55' ' ' ALA . 0.1 OUTLIER -157.9 167.39 30.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.621 ' N ' ' CG ' ' A' ' 54' ' ' PHE . . . -154.48 157.59 38.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.082 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.404 ' CE1' ' HZ ' ' A' ' 54' ' ' PHE . 7.1 m-85 -110.33 140.67 44.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.943 HG11 HG21 ' A' ' 29' ' ' ILE . 2.3 t -126.11 107.1 16.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -86.27 134.35 33.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.868 ' CE2' HG12 ' A' ' 36' ' ' VAL . 51.7 m-85 -114.8 137.41 51.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.665 ' HB3' HD13 ' A' ' 37' ' ' LEU . 16.6 pt-20 -62.77 -49.08 76.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.588 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 58.6 m -86.77 119.93 27.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -45.79 -34.01 3.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 63' ' ' ARG . 0.4 OUTLIER -79.53 -40.71 28.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.869 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.588 ' HB2' ' HB2' ' A' ' 61' ' ' SER . . . -43.6 -41.14 4.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.576 ' HB2' ' HB2' ' A' ' 59' ' ' TYR . . . -75.92 -30.63 58.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.81 -37.43 67.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 12.0 ptt? -86.54 -30.96 21.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.567 ' HB1' ' HB ' ' A' ' 33' ' ' THR . . . -59.57 -41.32 89.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' MET . 3.0 ppt_? -69.89 -37.46 76.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -60.48 -9.28 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -98.31 -29.91 12.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.569 HD11 ' CG2' ' A' ' 33' ' ' THR . 4.6 mt -108.09 -2.62 19.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.662 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -55.52 -51.16 82.35 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.567 0.698 . . . . 0.0 110.91 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.662 ' HD2' ' N ' ' A' ' 73' ' ' MET . 53.6 Cg_endo -69.76 3.65 2.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 57.9 23.04 50.06 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.496 ' NE ' ' HB2' ' A' ' 74' ' ' PRO . 3.0 mpt_? -65.79 -38.64 89.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.772 0.32 . . . . 0.0 110.857 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.482 HD13 HD23 ' A' ' 72' ' ' LEU . 4.7 mp -92.46 134.81 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -115.5 146.91 41.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.893 HD12 HG21 ' A' ' 84' ' ' ILE . 95.8 mt -103.42 112.73 25.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 79' ' ' LEU . 2.7 m-90 58.76 30.93 20.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.94 2.79 90.68 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.493 ' CE1' ' HB3' ' A' ' 17' ' ' PRO . 11.8 m170 -105.35 129.13 53.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -63.79 142.27 58.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.893 HG21 HD12 ' A' ' 79' ' ' LEU . 2.4 pp -135.19 152.95 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.116 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -132.86 138.15 46.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.087 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.525 HG12 ' CD1' ' A' ' 13' ' ' ILE . 15.6 m -106.75 130.37 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -134.41 155.3 50.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -72.02 105.82 4.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.441 ' O ' ' CD ' ' A' ' 90' ' ' GLU . . . -56.39 -57.91 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.058 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 89' ' ' ALA . 27.0 mp0 -160.1 140.58 8.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.737 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -50.69 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.718 2.279 . . . . 0.0 112.332 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -162.87 108.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.744 HG22 ' H ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -98.09 -178.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.744 ' H ' HG22 ' A' ' 93' ' ' ILE . 19.3 m-20 -94.53 34.95 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.543 HG11 ' ND2' ' A' ' 8' ' ' ASN . 15.5 m -52.99 -23.61 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -55.99 -50.61 70.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -83.05 -57.38 3.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -127.99 116.06 19.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.2 p -119.32 -28.36 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.115 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -104.73 165.8 10.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -134.43 136.17 43.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.5 p -110.63 161.23 15.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 92.4 t -119.87 -55.54 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 68.1 p -58.66 96.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.807 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -99.78 157.44 19.74 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 107' ' ' SER . 54.0 Cg_endo -69.77 101.67 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 106' ' ' PRO . 58.5 m 35.56 42.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.7 t -69.06 -45.01 71.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.802 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 -179.985 . . . . . . . . 0 0 . 1 stop_ save_