data_2dgy_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 2dgy _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 ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.838 0.351 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 21' ' ' PRO . 97.7 t -121.97 139.74 30.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 20' ' ' VAL . 65.2 Cg_exo -47.95 122.67 7.53 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.734 2.289 . . . . 0.0 112.312 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -68.28 -176.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -65.34 -44.52 87.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -83.4 -36.18 24.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -60.72 159.92 10.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -154.68 152.35 29.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.7 mt -95.32 129.45 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.453 HG23 ' CG2' ' A' ' 41' ' ' VAL . 34.5 m -133.26 176.52 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 15.5 ttp180 -122.96 133.76 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.8 t -70.75 152.27 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 mt -126.54 -50.32 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.406 ' NH1' ' HB2' ' A' ' 32' ' ' ARG . 7.5 ttm105 -165.88 159.54 16.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 m -131.5 123.05 19.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -8.25 23.13 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.702 2.268 . . . . 0.0 112.312 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.77 -46.3 1.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -52.17 -174.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -81.7 40.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.461 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 41.4 mt -137.67 164.83 27.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.461 ' CD2' ' C ' ' A' ' 38' ' ' LEU . 33.4 m-70 -150.19 140.7 22.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -93.8 125.96 38.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.597 ' CG2' ' CZ ' ' A' ' 49' ' ' PHE . 14.1 m -129.98 176.22 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -138.26 142.05 39.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.3 p -86.89 173.91 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.35 -21.21 63.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -91.21 24.88 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.66 63.86 4.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.527 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -134.69 107.92 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -84.42 140.06 31.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.597 ' CZ ' ' CG2' ' A' ' 41' ' ' VAL . 34.0 p90 -163.7 178.84 7.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -113.0 156.13 23.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.1 m -133.18 155.42 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.428 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . 1.3 t -101.11 160.58 14.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.8 tpt -95.96 130.14 32.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.704 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.6 Cg_exo -47.97 139.35 20.23 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.1 p -68.83 -10.16 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.561 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 10.0 pttt -93.48 -26.15 17.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 13.2 m-30 -87.2 29.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -58.4 79.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 57' ' ' TYR . 16.8 pttm -170.85 179.06 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -90.35 86.83 6.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mt -81.44 146.83 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -78.51 104.48 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 64' ' ' LYS . 44.7 mt -124.95 136.47 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' N ' HG22 ' A' ' 63' ' ' ILE . 9.1 mmpt? -130.46 178.59 6.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -80.48 141.01 35.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.55 -26.28 8.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -50.07 126.53 14.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.439 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 50.5 m-85 -88.32 124.57 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 87' ' ' VAL . 14.1 mt -129.52 163.86 25.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 85' ' ' SER . 77.3 mt -104.52 111.83 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.7 m -108.67 154.22 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 27.6 t70 -124.16 135.28 26.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.544 0.688 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 147.24 62.46 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.473 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 8.6 mt -116.68 157.01 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 pm0 -64.46 -177.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -57.79 91.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.16 -119.8 2.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -70.99 -174.83 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.918 0.39 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -83.12 20.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 81' ' ' LYS . 59.1 t -100.27 140.98 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.465 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 10.7 mmpt? -78.5 -58.29 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 72' ' ' ASP . . . -143.91 179.22 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.473 ' HG3' ' CD1' ' A' ' 74' ' ' ILE . 7.0 mt-10 -129.72 140.55 51.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 85' ' ' SER . 48.6 mt -53.12 143.44 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' ILE . 50.2 m -113.46 -46.35 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -156.58 166.07 34.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.41 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 87.8 t -106.99 107.89 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.8 mt -70.25 138.85 51.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 90' ' ' LYS . 91.2 m -109.98 160.72 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 94' ' ' ARG . 33.7 ttpt -36.84 -39.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.44 -62.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -38.63 -63.66 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.461 HG12 ' CZ3' ' A' ' 102' ' ' TRP . 98.2 t -37.21 -56.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.41 ' CD ' ' O ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -54.22 -45.77 72.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.7 m -53.03 -57.3 10.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 71.0 mt -52.2 -38.5 58.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -61.03 -42.5 98.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -71.18 -45.85 62.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.47 -23.1 65.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.68 51.5 2.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -130.58 -40.75 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.518 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 61.2 t-105 -44.41 139.48 3.38 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.551 0.691 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.9 Cg_endo -69.74 162.86 40.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -85.33 -44.67 12.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -48.36 -26.96 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -103.08 -33.12 9.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 t -41.11 -34.34 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.3 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.8 t -139.74 136.46 17.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 111.128 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.96 121.79 6.38 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 m -73.68 176.6 6.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -57.45 -53.07 62.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.431 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 8.5 pt20 -75.08 -37.67 61.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.467 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 11.5 mt-30 -69.42 142.07 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -133.99 157.86 44.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.4 mt -96.13 122.49 47.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.421 ' CG2' HG23 ' A' ' 41' ' ' VAL . 17.0 m -127.35 178.72 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.481 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . 26.5 ttp180 -124.34 132.64 53.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -65.08 152.03 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.8 mt -127.55 -60.9 1.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -161.28 130.73 4.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.0 m -103.1 121.45 48.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.56 0.695 . . . . 0.0 111.161 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -0.3 6.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.01 -46.01 1.35 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -51.83 -174.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -81.29 40.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.423 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 40.3 mt -137.29 168.06 20.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.562 ' CE1' ' CD1' ' A' ' 63' ' ' ILE . 43.3 m-70 -150.84 134.46 16.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -92.61 113.24 25.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.54 ' CG2' ' CZ ' ' A' ' 49' ' ' PHE . 33.8 m -120.35 173.08 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -137.05 147.54 46.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.9 p -90.08 -179.5 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.58 -23.56 58.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -88.7 24.04 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.87 62.88 5.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -133.99 104.05 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -81.99 144.42 30.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.54 ' CZ ' ' CG2' ' A' ' 41' ' ' VAL . 32.6 p90 -165.5 179.46 6.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -117.84 156.82 27.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.1 m -136.89 158.2 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 t -99.56 162.23 13.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.3 tpt -99.97 130.85 25.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.2 Cg_exo -47.94 158.35 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 t -77.01 -28.1 54.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 18.1 pttt -81.87 -21.85 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 10.9 m-30 -86.61 32.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -66.32 79.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -175.12 149.49 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -66.9 88.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.3 mt -77.03 150.7 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.493 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 25.9 t90 -78.83 88.77 4.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.562 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 65.0 mt -117.62 110.34 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 28.2 mtmt -114.07 169.99 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -68.3 146.68 53.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.58 -38.02 3.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -56.12 131.54 47.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 29' ' ' ARG . 60.8 m-85 -90.54 139.78 30.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -139.87 168.61 19.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' ' 25' ' ' GLN . 96.2 mt -111.54 111.6 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.9 m -102.88 157.66 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.424 ' C ' ' HB2' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -119.71 128.63 25.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.431 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 54.3 Cg_endo -69.73 143.75 51.96 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.449 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 9.5 mt -117.1 154.57 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -75.28 178.41 5.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.89 111.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.89 -128.16 0.93 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.77 -174.75 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -83.37 21.29 1.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.418 ' C ' ' HE2' ' A' ' 81' ' ' LYS . 43.1 t -100.24 136.66 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.458 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 9.9 mmpt? -76.04 -56.76 4.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.424 ' HB2' ' C ' ' A' ' 72' ' ' ASP . . . -143.44 -176.82 5.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.064 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.449 ' HG3' ' CD1' ' A' ' 74' ' ' ILE . 16.3 mt-10 -133.24 137.08 45.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 85' ' ' SER . 61.1 mt -52.33 142.78 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.434 ' N ' HG22 ' A' ' 84' ' ' ILE . 67.5 m -116.37 -45.52 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -154.74 168.71 25.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.3 t -110.67 123.36 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.147 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.87 159.72 18.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 15.4 m -134.43 176.6 8.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 mtmm -51.66 -42.13 61.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 94' ' ' ARG . 55.8 m-20 -70.28 -61.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.2 t-160 -37.45 -54.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.494 HG23 ' CH2' ' A' ' 102' ' ' TRP . 77.6 t -47.12 -41.28 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 91' ' ' ASP . 33.8 mmm-85 -54.0 -56.22 19.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.6 m -51.33 -67.66 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.7 mt -45.32 -44.13 11.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -60.06 -32.64 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -77.29 -39.34 48.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.72 -24.95 65.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.5 31.67 7.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -107.74 -41.75 4.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.52 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 61.3 t-105 -45.21 139.46 4.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.538 0.685 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.551 ' HG2' ' CD2' ' A' ' 106' ' ' PHE . 53.7 Cg_endo -69.79 155.61 65.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 106' ' ' PHE . 35.5 tt0 -73.45 -57.9 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.76 -28.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.551 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 3.4 m-30 -101.51 -30.56 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 104' ' ' GLU . 7.2 t -48.65 -28.14 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.809 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 68.7 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.876 0.369 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.3 t -138.3 135.93 18.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.152 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.423 ' CD ' HD21 ' A' ' 96' ' ' LEU . 64.9 Cg_exo -47.93 132.81 22.59 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.716 2.277 . . . . 0.0 112.356 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.438 ' CB ' ' OE1' ' A' ' 25' ' ' GLN . 14.2 t -79.28 174.63 11.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -59.6 -45.59 91.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -77.04 -44.49 30.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.438 ' OE1' ' CB ' ' A' ' 22' ' ' SER . 15.1 mt-30 -57.21 169.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -161.28 148.44 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.6 mt -90.22 131.17 38.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.8 m -136.32 176.76 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -124.0 130.98 53.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -66.92 146.62 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.5 mt -117.94 -49.92 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -167.21 156.98 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 m -127.4 119.17 21.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 0.0 111.165 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.37 5.76 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.47 -49.36 0.9 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -53.49 -174.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -81.18 40.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 49.8 mt -132.99 163.56 28.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.569 ' CE1' HD12 ' A' ' 63' ' ' ILE . 42.4 m-70 -151.81 122.91 7.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -79.84 104.76 10.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.526 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 18.1 m -109.71 172.92 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -135.35 149.63 49.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.5 p -92.27 -178.25 4.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.59 -27.21 60.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -87.98 26.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.9 67.86 1.99 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -136.3 110.53 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.914 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -83.61 141.07 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.526 ' CZ ' HG22 ' A' ' 41' ' ' VAL . 24.7 p90 -164.51 167.95 18.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -105.86 148.85 27.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.5 m -130.02 155.81 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -101.07 159.9 14.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.437 ' CE ' HD13 ' A' ' 61' ' ' ILE . 5.6 tpt -97.5 129.26 32.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.575 0.702 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.2 Cg_exo -47.96 160.09 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 m -74.04 -47.58 35.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.533 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 2.0 pttm -60.64 -26.02 66.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 13.0 m-30 -87.98 32.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 10.2 ttp-105 -66.59 77.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' NZ ' ' HB3' ' A' ' 59' ' ' LYS . 6.2 mtpm? -162.46 -177.78 5.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -100.07 78.01 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.437 HD13 ' CE ' ' A' ' 53' ' ' MET . 21.9 mt -69.54 139.13 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.412 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 23.4 t90 -76.02 86.99 2.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 39' ' ' HIS . 51.4 mt -110.51 111.82 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.095 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 5.2 mtmp? -112.07 178.55 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 1.9 tmt_? -71.36 138.0 48.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.09 -28.04 17.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.456 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -61.39 122.99 16.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -88.71 132.88 34.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 mt -137.58 159.36 42.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 85' ' ' SER . 81.4 mt -100.56 115.44 41.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.4 m -111.67 157.59 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.419 ' C ' ' HB2' ' A' ' 82' ' ' ALA . 23.5 t0 -127.43 134.24 25.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.658 0.742 . . . . 0.0 110.861 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 150.73 68.64 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.416 HD12 ' CD ' ' A' ' 83' ' ' GLU . 9.8 mt -119.76 155.8 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -74.97 -177.97 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -39.02 116.0 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.54 -139.93 2.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.08 -174.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -83.91 23.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.9 t -99.92 140.83 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.453 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 6.0 mmpt? -83.06 -54.62 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.419 ' HB2' ' C ' ' A' ' 72' ' ' ASP . . . -145.22 -177.7 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.416 ' CD ' HD12 ' A' ' 74' ' ' ILE . 52.3 mt-10 -138.92 141.28 38.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.41 ' CD1' ' SD ' ' A' ' 53' ' ' MET . 40.2 mt -51.95 153.48 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 70' ' ' ILE . 68.5 m -125.15 -43.27 1.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -157.07 154.89 30.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.0 t -97.47 103.92 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.6 140.38 56.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 90' ' ' LYS . 27.4 p -120.74 168.12 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 89' ' ' CYS . 42.5 mtmt -36.61 -65.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 92' ' ' HIS . 1.2 m-20 -50.05 -63.11 1.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 93' ' ' VAL . 2.3 t-160 -36.76 -66.14 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' HIS . 88.5 t -34.61 -60.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.99 -46.13 16.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.3 m -54.1 -65.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.423 HD21 ' CD ' ' A' ' 21' ' ' PRO . 65.2 mt -46.99 -40.99 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -59.88 -47.07 87.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -66.03 -42.4 89.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.5 -25.11 67.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.58 42.53 4.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -122.25 -39.92 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.524 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 56.7 t-105 -43.29 139.26 2.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.563 0.697 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.9 Cg_endo -69.75 170.37 16.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.49 -37.3 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.28 -40.37 74.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -100.01 26.31 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -101.01 -40.76 7.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.894 0.378 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t -130.27 130.41 23.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.737 . . . . 0.0 111.152 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.99 119.77 4.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.233 . . . . 0.0 112.397 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -66.04 178.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.797 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -62.33 -47.49 84.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -78.89 -31.21 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -68.54 146.54 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -139.44 154.44 47.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.6 mt -92.64 127.73 44.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.15 177.89 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.427 ' NH2' ' NH2' ' A' ' 65' ' ' ARG . 28.3 ttt180 -124.21 137.79 54.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 t -75.11 152.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 mt -125.75 -55.28 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.9 mtm-85 -154.93 177.96 10.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.566 HG22 ' CE1' ' A' ' 39' ' ' HIS . 4.0 m -149.98 118.38 3.68 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.578 0.704 . . . . 0.0 111.128 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -7.89 22.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.37 -39.73 2.8 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -60.49 -174.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -80.89 40.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 46.2 mt -136.12 161.82 34.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.566 ' CE1' HG22 ' A' ' 33' ' ' THR . 38.7 m-70 -149.99 129.76 13.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.445 ' OE2' ' C ' ' A' ' 49' ' ' PHE . 3.3 tp10 -85.07 115.69 23.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.407 HG21 ' CZ ' ' A' ' 49' ' ' PHE . 21.2 m -120.98 172.55 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.15 151.96 51.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.2 p -98.55 173.04 7.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.124 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.83 -26.04 68.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -90.89 24.57 2.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.63 44.48 96.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -110.4 103.3 11.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -85.27 144.13 28.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.445 ' C ' ' OE2' ' A' ' 40' ' ' GLU . 12.9 p90 -166.62 -176.51 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.4 mt -114.35 152.46 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.4 m -132.29 144.1 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -93.98 158.57 15.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.402 ' SD ' ' CD1' ' A' ' 84' ' ' ILE . 5.8 tpt -95.96 132.42 27.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.573 0.702 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.4 Cg_exo -47.95 167.56 0.1 OUTLIER 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.8 p -83.78 -34.35 24.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.551 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.1 pttm -76.07 -16.5 59.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.559 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 11.8 m-30 -94.19 23.76 4.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.34 79.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 57' ' ' TYR . 15.9 tptt -175.07 134.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -56.13 92.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.5 mt -81.55 146.38 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -75.46 102.2 5.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.518 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 39.3 mt -122.62 138.09 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.427 ' N ' HG21 ' A' ' 63' ' ' ILE . 9.2 mmpt? -132.74 164.44 26.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.427 ' NH2' ' NH2' ' A' ' 29' ' ' ARG . 1.9 tmt_? -66.75 151.81 46.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.53 -31.73 3.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -55.81 125.72 22.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 106' ' ' PHE . 66.6 m-85 -88.66 123.48 33.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.8 mt -129.0 160.34 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.5 mt -99.19 122.77 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.0 m -115.68 152.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -119.74 129.16 25.5 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.645 0.736 . . . . 0.0 110.824 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.15 67.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.706 2.271 . . . . 0.0 112.301 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.44 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 7.8 mt -121.7 152.58 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.16 -178.55 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -40.24 118.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -169.07 -135.25 1.86 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -62.83 -174.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -83.11 22.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.02 145.37 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -88.24 -54.51 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.8 179.03 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.067 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.44 ' HG3' ' CD1' ' A' ' 74' ' ' ILE . 50.9 mt-10 -134.18 137.39 44.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.463 HG21 ' N ' ' A' ' 85' ' ' SER . 50.6 mt -51.12 139.7 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.463 ' N ' HG21 ' A' ' 84' ' ' ILE . 37.2 m -114.09 -42.1 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.456 ' CG ' ' O ' ' A' ' 85' ' ' SER . 91.3 m-85 -160.16 161.23 33.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.31 118.44 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.403 HD22 ' ND1' ' A' ' 92' ' ' HIS . 23.2 mt -76.57 144.07 39.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 90' ' ' LYS . 5.5 t -118.43 160.25 22.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 89' ' ' CYS . 0.1 OUTLIER -35.17 -46.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 94' ' ' ARG . 1.1 t0 -68.55 -57.64 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.3 t-160 -37.43 -55.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.48 HG21 ' CH2' ' A' ' 102' ' ' TRP . 77.2 t -49.74 -40.27 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 91' ' ' ASP . 20.6 mmt180 -53.97 -50.13 67.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 98' ' ' LYS . 51.0 m -59.29 -68.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 78.8 mt -38.28 -39.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -64.83 -43.17 93.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 95' ' ' SER . 2.0 mtpm? -72.41 -38.25 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.8 -25.42 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.75 37.09 6.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.497 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -115.98 -35.86 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.524 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 59.3 t-105 -49.56 139.35 15.38 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.524 0.678 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.4 Cg_endo -69.84 -165.09 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -113.75 -42.54 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.13 -26.59 60.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.545 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 6.1 m-85 -106.49 15.88 25.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -98.99 -30.21 12.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.503 ' HB ' ' CE1' ' A' ' 92' ' ' HIS . 90.9 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.859 0.362 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.9 t -140.45 131.91 14.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.97 123.75 9.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.9 p -63.31 -177.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -61.41 -51.19 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -73.69 -40.56 63.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -55.65 166.36 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -159.72 146.84 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.4 mt -88.75 129.77 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.458 HG21 ' CG2' ' A' ' 41' ' ' VAL . 19.6 m -136.93 166.45 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.538 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . 17.6 ttp180 -111.82 140.22 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.9 t -73.38 149.11 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.5 mt -124.02 -60.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -142.92 170.18 16.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.7 m -145.47 111.01 4.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 111.138 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 3.13 2.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.299 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.87 -45.61 1.96 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -54.34 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -81.21 40.8 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.411 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 53.4 mt -132.08 163.51 28.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.411 ' CD2' ' O ' ' A' ' 38' ' ' LEU . 54.6 m-70 -151.92 125.28 8.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -84.58 108.89 17.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.458 ' CG2' HG21 ' A' ' 28' ' ' VAL . 28.8 m -118.77 171.22 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -135.58 152.02 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.6 p -92.82 -178.12 4.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.421 ' CB ' ' HB3' ' A' ' 105' ' ' ALA . . . -75.22 -24.26 57.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -87.67 23.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.7 67.51 2.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -139.09 106.18 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -83.74 148.64 26.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -172.08 175.03 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -109.69 152.33 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.8 m -135.35 152.72 32.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -99.84 165.04 11.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.434 ' SD ' ' CD1' ' A' ' 84' ' ' ILE . 5.9 tpt -96.71 133.2 24.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.537 0.684 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.557 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 Cg_exo -47.97 164.69 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.644 2.23 . . . . 0.0 112.361 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.7 m -79.06 -37.09 39.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 12.6 pttt -67.26 -34.73 78.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 14.7 m-30 -83.79 37.87 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.9 ttt-85 -64.97 80.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -174.18 177.14 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.59 79.92 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 62' ' ' TRP . 21.9 mt -66.7 142.8 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.454 ' N ' HG23 ' A' ' 61' ' ' ILE . 13.0 t-105 -74.72 101.77 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.22 130.48 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' HD2' ' CZ2' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -117.87 177.01 4.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -71.87 147.27 47.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.471 ' N ' ' HD3' ' A' ' 65' ' ' ARG . . . 87.05 -40.82 3.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.29 124.01 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.862 0.363 . . . . 0.0 110.83 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.538 ' CD1' ' HB2' ' A' ' 29' ' ' ARG . 54.3 m-85 -88.28 132.14 34.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 mt -131.49 164.96 24.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 85' ' ' SER . 92.8 mt -104.01 115.09 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.5 m -107.75 154.1 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -123.33 130.52 24.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.709 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 142.35 47.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.295 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.8 mt -117.5 145.87 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -61.66 -177.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -44.23 117.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.33 -143.47 3.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -52.61 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -83.07 21.49 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.6 t -100.17 138.42 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.465 ' HE3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -82.58 -49.69 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -149.78 -177.2 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.11 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -141.1 140.33 34.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.434 ' CD1' ' SD ' ' A' ' 53' ' ' MET . 43.1 mt -49.78 159.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 70' ' ' ILE . 55.9 m -131.52 -42.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -155.44 154.99 32.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.9 t -95.14 107.86 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 39.3 mt -69.68 145.45 52.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' LYS . 2.5 t -126.03 161.75 26.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 89' ' ' CYS . 29.2 mmtm -35.98 -53.23 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -61.31 -56.05 24.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.503 ' CE1' ' HB ' ' A' ' 19' ' ' ILE . 2.9 t-160 -38.45 -57.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.522 HG21 ' CH2' ' A' ' 102' ' ' TRP . 98.3 t -49.72 -42.93 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -51.63 -44.67 63.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -65.1 -62.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.6 mt -44.0 -43.49 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -63.69 -42.15 98.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -63.73 -50.34 69.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.76 -28.77 68.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.65 38.81 4.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -113.57 -37.74 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.522 ' CH2' HG21 ' A' ' 93' ' ' VAL . 64.6 t-105 -47.05 138.79 7.36 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.519 0.675 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.512 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 54.1 Cg_endo -69.75 168.32 21.88 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -95.55 -34.88 11.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.421 ' HB3' ' CB ' ' A' ' 44' ' ' ALA . . . -62.26 -7.88 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.428 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 11.8 m-85 -127.75 17.26 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 m -94.02 -34.75 12.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 20' ' ' VAL . 88.2 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.854 0.359 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.409 ' N ' HG22 ' A' ' 19' ' ' ILE . 54.1 t -140.47 126.95 11.93 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.643 0.735 . . . . 0.0 111.133 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.96 119.26 3.72 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -61.42 158.85 13.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -45.96 -51.05 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -73.61 -40.92 63.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.46 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 7.4 mt-30 -55.64 150.35 12.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -141.02 143.18 34.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.8 mt -89.13 120.79 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.431 ' CG2' HG23 ' A' ' 41' ' ' VAL . 26.9 m -127.41 175.25 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.439 ' CD ' ' HA2' ' A' ' 66' ' ' GLY . 8.2 ttt-85 -118.89 140.83 49.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 31' ' ' LEU . 84.9 t -73.74 153.41 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.464 ' N ' HG13 ' A' ' 30' ' ' VAL . 24.8 mt -130.46 -57.76 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' ' 32' ' ' ARG . 23.8 mtm105 -155.79 168.22 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 m -144.1 123.45 7.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.557 0.694 . . . . 0.0 111.178 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -6.26 18.18 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.367 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.29 -38.12 3.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -58.38 -174.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -81.14 40.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.556 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 21.4 mt -138.2 171.29 14.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.556 ' CD2' ' C ' ' A' ' 38' ' ' LEU . 32.4 m-70 -154.85 141.87 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -98.27 116.27 30.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.588 ' CG2' ' CZ ' ' A' ' 49' ' ' PHE . 31.3 m -122.69 177.26 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.408 ' OE2' ' NH1' ' A' ' 29' ' ' ARG . 7.3 pt-20 -139.15 148.67 43.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 p -93.35 178.39 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.11 -20.76 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -90.06 24.14 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.83 58.84 12.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -131.28 107.97 9.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -85.24 137.87 32.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.588 ' CZ ' ' CG2' ' A' ' 41' ' ' VAL . 19.6 p90 -155.41 179.15 9.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -112.01 154.98 24.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.443 ' CG2' ' HB2' ' A' ' 39' ' ' HIS . 32.2 m -130.42 164.64 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -119.15 160.65 21.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.402 ' CE ' HD13 ' A' ' 84' ' ' ILE . 4.2 tpt -96.09 125.18 49.21 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.553 0.692 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.4 Cg_exo -48.01 133.03 23.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -59.62 -11.35 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.533 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 9.8 pttt -95.32 -16.42 22.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 12.6 m-30 -99.24 45.22 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -68.21 85.98 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -174.88 170.54 3.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -89.25 82.75 6.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 62' ' ' TRP . 7.2 mt -74.43 147.67 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.407 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 18.7 t90 -74.75 99.45 3.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.452 HD12 ' CE1' ' A' ' 39' ' ' HIS . 50.5 mt -124.51 106.3 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.407 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 6.2 mtmp? -113.08 174.7 5.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 66' ' ' GLY . 44.8 ttt180 -68.65 149.69 48.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.439 ' HA2' ' CD ' ' A' ' 29' ' ' ARG . . . 81.61 -41.32 2.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.84 124.52 3.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -88.91 138.42 31.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.0 mt -142.47 170.48 15.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 25' ' ' GLN . 72.8 mt -111.26 113.85 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.2 m -109.07 154.68 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -123.62 133.31 24.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.851 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 151.1 69.02 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.372 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.422 HD12 ' CD ' ' A' ' 83' ' ' GLU . 8.7 mt -123.07 152.59 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.91 -178.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -38.12 122.85 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.29 -143.71 4.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.567 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.92 -174.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.384 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -83.09 21.54 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.9 t -100.21 136.13 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -80.08 -59.47 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.37 176.26 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.06 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.422 ' CD ' HD12 ' A' ' 74' ' ' ILE . 18.8 mt-10 -132.47 147.24 52.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.452 HG21 ' N ' ' A' ' 85' ' ' SER . 53.1 mt -53.46 138.42 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.452 ' N ' HG21 ' A' ' 84' ' ' ILE . 41.9 m -113.73 -46.04 3.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -156.48 151.57 26.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 56.2 t -94.89 109.89 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.492 ' CD2' ' CE1' ' A' ' 92' ' ' HIS . 60.7 mt -67.85 138.86 56.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 90' ' ' LYS . 25.6 m -108.12 153.56 22.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 89' ' ' CYS . 29.2 mttt -34.66 -54.19 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -61.43 -44.9 96.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.492 ' CE1' ' CD2' ' A' ' 88' ' ' LEU . 6.1 t-160 -49.75 -54.74 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 69.7 t -44.67 -63.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -45.69 -48.65 15.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t -52.69 -61.69 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 37.1 mt -44.89 -41.35 7.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -62.16 -50.97 69.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -57.15 -49.74 75.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.86 -27.51 68.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.13 49.02 2.13 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -127.72 -39.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.522 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 59.8 t-105 -48.82 139.3 11.92 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.58 0.705 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.5 Cg_endo -69.77 174.43 9.53 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -95.84 -37.77 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.01 -31.97 65.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -105.22 18.86 21.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 t -97.59 -30.51 12.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.407 HG21 ' N ' ' A' ' 20' ' ' VAL . 77.0 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.845 0.355 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.407 ' N ' HG21 ' A' ' 19' ' ' ILE . 83.9 t -142.79 134.04 12.81 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.633 0.73 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -48.01 119.44 3.91 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.5 m -55.93 177.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -57.85 -46.46 84.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -83.54 -39.13 20.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -53.47 149.05 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -142.65 147.7 36.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.5 mt -87.25 131.44 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.0 m -137.67 172.56 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -118.48 134.44 55.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 31' ' ' LEU . 60.8 t -68.83 144.12 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.405 ' N ' HG12 ' A' ' 30' ' ' VAL . 19.5 mt -118.33 -47.98 2.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -165.08 172.48 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.468 HG21 ' CE1' ' A' ' 39' ' ' HIS . 6.0 m -148.04 119.63 4.47 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.54 0.686 . . . . 0.0 111.144 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -0.65 7.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.654 2.236 . . . . 0.0 112.333 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.22 -43.39 1.68 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.443 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -53.91 -174.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -81.2 40.72 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 30.5 mt -139.13 169.47 17.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.565 ' CD2' ' O ' ' A' ' 38' ' ' LEU . 35.7 m-70 -153.41 142.31 21.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -97.23 109.04 21.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.5 m -115.73 174.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -135.55 152.15 51.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 p -95.06 171.84 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.29 -26.8 68.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -89.13 25.99 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.24 70.12 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -139.31 105.43 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -80.31 145.07 32.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -167.6 171.02 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -107.39 151.28 25.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.8 m -133.05 153.61 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -97.74 168.35 10.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.3 tpt -104.27 131.83 21.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.8 Cg_exo -47.99 174.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.6 p -93.4 -23.23 18.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.559 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 47.1 pttt -87.08 -12.2 47.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.94 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 12.7 m-30 -98.96 31.06 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -60.43 79.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' TYR . 16.1 tttp -175.12 155.61 1.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -75.1 83.19 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 62' ' ' TRP . 23.1 mt -71.17 145.22 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.45 ' N ' HG22 ' A' ' 61' ' ' ILE . 25.0 t90 -76.15 87.28 3.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.2 mt -114.34 110.29 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 6.9 mtmp? -115.65 178.63 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -71.67 148.15 46.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.82 -22.02 27.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -72.63 125.67 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.487 ' CE1' ' HB3' ' A' ' 106' ' ' PHE . 11.1 m-85 -88.15 132.22 34.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 mt -133.41 163.9 28.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 85' ' ' SER . 93.3 mt -107.16 106.06 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.1 m -94.86 162.12 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.415 ' C ' ' HB3' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -126.62 121.93 23.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 137.9 36.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.418 HD13 ' CD ' ' A' ' 83' ' ' GLU . 7.0 mt -117.25 144.66 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.171 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -61.13 -177.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -42.64 120.88 1.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.89 -131.98 1.38 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -62.99 -175.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 17.9 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 81' ' ' LYS . 88.5 t -100.27 143.53 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.456 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 7.8 mmpt? -83.65 -52.79 6.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.415 ' HB3' ' C ' ' A' ' 72' ' ' ASP . . . -147.53 -178.92 6.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.418 ' CD ' HD13 ' A' ' 74' ' ' ILE . 22.4 mt-10 -133.52 139.73 46.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.6 mt -54.28 144.08 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.498 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 67.2 m -114.4 -39.6 3.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.498 ' CG ' ' O ' ' A' ' 85' ' ' SER . 95.3 m-85 -162.16 163.11 28.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.9 t -105.69 102.22 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.8 mt -66.01 149.32 50.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 94.4 m -120.92 -177.22 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -53.6 -54.99 29.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' ARG . 1.3 t0 -60.42 -60.13 4.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t-160 -34.92 -58.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.803 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.555 HG21 ' CH2' ' A' ' 102' ' ' TRP . 93.7 t -49.09 -40.3 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 91' ' ' ASP . 17.1 mmt85 -56.52 -43.39 79.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 m -62.31 -70.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 41.2 mt -39.74 -37.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -64.04 -45.7 87.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -71.59 -37.0 71.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.77 -29.19 70.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.29 44.77 2.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -126.72 -42.31 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.555 ' CH2' HG21 ' A' ' 93' ' ' VAL . 54.1 t-105 -42.56 139.22 2.01 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.77 174.29 9.74 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -97.37 -29.02 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.27 98.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.487 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 7.0 m-85 -100.48 22.84 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -97.06 -37.75 10.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 61.5 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.915 0.388 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.1 t -125.72 138.34 31.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.614 0.721 . . . . 0.0 111.163 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HG2' ' CD1' ' A' ' 27' ' ' ILE . 65.7 Cg_exo -47.97 129.79 18.71 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -84.08 176.39 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.28 -54.44 46.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -42.09 88.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.456 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 56.4 mt-30 -66.12 171.23 4.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -159.99 147.62 16.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.438 ' CD1' ' HG2' ' A' ' 21' ' ' PRO . 59.4 mt -90.14 119.8 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.45 ' CG2' HG23 ' A' ' 41' ' ' VAL . 17.5 m -127.27 165.54 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.8 ttt-85 -114.1 132.17 56.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' A' ' 31' ' ' LEU . 72.7 t -64.54 156.78 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 21.0 mt -129.56 -46.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 33' ' ' THR . 9.0 ttm105 -171.99 152.96 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.419 ' N ' ' HG2' ' A' ' 32' ' ' ARG . 28.3 m -125.63 121.93 24.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.603 0.716 . . . . 0.0 111.154 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -14.24 36.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.377 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.08 -49.66 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -51.82 -174.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -81.24 40.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.423 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 38.1 mt -133.67 165.8 24.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.571 ' CE1' ' CD1' ' A' ' 63' ' ' ILE . 49.5 m-70 -151.63 138.34 18.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -97.15 113.33 24.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.45 HG23 ' CG2' ' A' ' 28' ' ' VAL . 18.5 m -120.29 179.42 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -138.88 144.11 39.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.5 p -85.52 173.7 10.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.38 -24.17 63.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -89.87 24.86 2.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.14 64.0 4.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -135.66 105.19 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.401 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 71.3 mtt180 -83.93 143.04 30.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -167.0 179.33 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -111.31 162.07 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.6 m -144.22 155.18 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -101.26 163.86 12.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.5 tpt -96.67 132.76 25.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.549 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.5 Cg_exo -47.94 161.38 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.67 2.246 . . . . 0.0 112.321 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 m -79.11 -27.98 42.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 10.4 pttm -81.71 -21.29 38.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.549 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 11.3 m-30 -88.25 25.52 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.1 mtp-105 -59.5 79.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' TYR . 10.1 tptm -175.04 140.89 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.03 90.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.1 mt -82.46 146.13 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -77.03 103.25 6.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.571 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 42.1 mt -122.51 138.1 53.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' N ' HG21 ' A' ' 63' ' ' ILE . 9.4 mmpt? -134.68 170.01 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -73.71 145.4 45.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.85 -6.8 83.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -81.65 130.27 34.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -88.29 134.63 33.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 mt -139.94 167.76 21.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 85' ' ' SER . 88.5 mt -108.76 118.05 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.6 m -114.5 155.15 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 73' ' ' PRO . 4.3 t0 -125.16 131.76 24.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.588 0.709 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.401 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 53.7 Cg_endo -69.77 146.39 60.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.68 2.253 . . . . 0.0 112.386 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.0 mt -117.38 158.36 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -74.66 177.79 5.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -38.48 114.9 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.72 -133.08 1.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -174.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.38 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -82.92 21.11 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.8 t -100.2 137.24 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -80.21 -53.1 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.27 177.02 9.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -129.26 140.78 51.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 88.3 mt -50.58 153.79 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 70' ' ' ILE . 14.9 m -124.14 -44.37 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -157.95 166.58 32.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.4 t -107.56 101.44 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.409 HD21 ' ND1' ' A' ' 92' ' ' HIS . 23.1 mt -66.46 146.1 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 3.3 t -113.54 172.84 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -50.37 -49.49 54.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -64.73 -51.59 61.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.409 ' ND1' HD21 ' A' ' 88' ' ' LEU . 3.3 t-160 -43.3 -56.53 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.477 HG23 ' CH2' ' A' ' 102' ' ' TRP . 84.4 t -48.89 -29.35 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -69.98 -49.46 51.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -54.87 -66.3 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 65.0 mt -41.03 -41.17 1.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -60.49 -42.57 96.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -74.1 -40.85 62.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.407 ' HB3' ' CE2' ' A' ' 101' ' ' PHE . 34.9 mt-10 -62.92 -25.76 68.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.19 39.0 4.94 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.495 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 99' ' ' GLU . 57.9 m-85 -116.67 -38.24 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.517 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 40.9 t-105 -49.76 139.21 16.62 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.554 0.692 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.7 Cg_endo -69.75 176.74 6.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.246 . . . . 0.0 112.321 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -100.56 -9.07 22.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.04 -8.94 54.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -128.21 -10.26 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.6 p -46.12 -51.63 13.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.6 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.887 0.375 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.4 t -131.75 129.63 22.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.0 125.22 11.27 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.9 p -68.04 173.27 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -56.28 -45.77 80.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.47 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 42.6 mt-30 -78.45 -36.46 45.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -67.97 150.94 47.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -146.47 151.3 37.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.8 mt -87.48 127.87 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.7 m -133.83 164.5 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -111.24 132.29 54.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 31' ' ' LEU . 57.0 t -68.5 138.57 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.434 ' N ' HG13 ' A' ' 30' ' ' VAL . 24.2 mt -112.74 -58.53 2.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -148.24 -178.57 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.4 HG21 ' ND1' ' A' ' 39' ' ' HIS . 2.8 m -156.02 118.35 2.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 111.147 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -3.55 12.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.226 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.18 -44.36 1.49 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -52.97 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -81.1 40.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.502 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 18.9 mt -135.89 171.43 14.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.502 ' CD2' ' C ' ' A' ' 38' ' ' LEU . 46.1 m-70 -155.2 138.83 16.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.47 112.34 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.461 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 27.3 m -117.49 179.88 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -138.61 143.99 39.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.0 p -90.02 166.15 13.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.41 -27.75 62.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -87.22 28.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.14 51.47 46.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -117.68 102.46 9.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -79.72 142.55 35.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.461 ' CZ ' HG22 ' A' ' 41' ' ' VAL . 10.4 p90 -168.12 178.76 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -112.9 159.98 18.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.4 m -140.68 151.76 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 t -97.11 161.67 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.427 ' SD ' ' CD1' ' A' ' 84' ' ' ILE . 6.5 tpt -99.41 132.5 23.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.557 0.694 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.3 Cg_exo -47.98 163.92 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.299 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.2 m -80.37 -37.27 32.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.475 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 37.6 pttt -72.92 -14.99 61.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 59' ' ' LYS . 10.3 m-30 -95.37 24.68 4.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -58.52 80.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 57' ' ' TYR . 27.0 mtmt -168.25 172.33 8.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -91.95 81.61 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.425 HD13 ' CE ' ' A' ' 53' ' ' MET . 13.2 mt -72.87 140.48 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -74.96 106.27 6.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 64' ' ' LYS . 71.2 mt -126.17 135.13 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 63' ' ' ILE . 9.2 mmpt? -129.28 175.29 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -76.67 126.92 31.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.68 -22.34 24.15 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -64.35 128.49 36.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -90.29 130.07 36.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.8 mt -133.39 165.12 25.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 85' ' ' SER . 89.5 mt -107.56 105.07 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 32.8 m -93.7 157.91 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.09 122.1 26.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.89 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.47 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 54.0 Cg_endo -69.69 143.2 50.43 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.423 HD12 ' CD ' ' A' ' 83' ' ' GLU . 7.6 mt -119.53 154.55 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' GLU . 5.4 pt-20 -72.13 -177.43 2.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 75' ' ' GLU . 58.1 mm-40 -37.45 122.88 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.05 -130.45 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -68.72 -174.9 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.439 ' HE3' ' N ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -82.95 20.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.4 t -100.18 135.16 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -77.8 -51.85 9.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.48 177.47 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.423 ' CD ' HD12 ' A' ' 74' ' ' ILE . 23.8 mt-10 -129.65 140.25 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.427 ' CD1' ' SD ' ' A' ' 53' ' ' MET . 76.6 mt -54.71 139.36 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' ILE . 19.5 m -108.57 -48.09 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -154.36 169.6 23.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.6 t -107.84 104.35 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.17 150.02 49.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 90' ' ' LYS . 28.6 m -130.5 164.23 25.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 89' ' ' CYS . 23.6 mmmt -38.07 -41.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' HIS . 14.3 m-20 -68.78 -64.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.0 t-160 -35.63 -58.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' HIS . 91.9 t -36.24 -58.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.6 -55.18 5.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.7 m -46.13 -54.54 8.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.9 mt -63.26 -37.71 88.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -62.01 -40.28 95.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -72.29 -47.64 48.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.0 -21.4 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 88.44 33.71 10.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -106.63 -37.51 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.514 ' CD2' ' HD2' ' A' ' 103' ' ' PRO . 53.0 t-105 -47.66 137.86 9.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.564 0.697 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.4 Cg_endo -69.74 -170.2 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.272 . . . . 0.0 112.34 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -110.06 -35.39 6.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.56 -23.28 66.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -112.08 21.81 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 t -100.95 -39.01 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 66.1 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.894 0.378 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -128.3 125.48 23.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.414 ' CD ' HD21 ' A' ' 96' ' ' LEU . 64.3 Cg_exo -47.97 120.68 5.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -66.48 168.61 8.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -52.0 -36.37 49.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.38 -38.26 22.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -67.85 145.63 54.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -137.33 151.63 48.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.9 mt -96.84 130.27 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.2 m -134.38 179.65 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.455 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 19.2 ttt180 -125.28 139.77 53.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 31' ' ' LEU . 23.3 t -77.09 152.01 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.44 ' N ' HG13 ' A' ' 30' ' ' VAL . 7.5 mt -127.74 -55.3 1.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 -154.36 162.75 40.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 m -134.63 119.58 14.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 111.172 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -1.03 7.8 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.706 2.27 . . . . 0.0 112.329 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.23 -40.22 2.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -61.06 -174.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.7 p30 -81.46 40.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.49 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 16.9 mt -133.24 166.93 21.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.552 ' CE1' HD13 ' A' ' 63' ' ' ILE . 39.2 m-70 -152.3 127.7 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' OE2' ' C ' ' A' ' 49' ' ' PHE . 3.4 tp10 -85.03 102.74 13.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.8 m -110.35 178.71 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -143.49 147.45 34.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.9 p -87.13 -179.36 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.19 -19.47 59.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -91.77 23.74 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.8 61.73 7.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -133.39 101.32 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -80.28 142.91 34.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.407 ' C ' ' OE2' ' A' ' 40' ' ' GLU . 22.4 p90 -166.32 174.94 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.4 mt -105.8 156.38 18.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -139.85 142.88 31.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -89.19 161.22 16.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.9 tpt -101.82 132.62 21.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.541 0.686 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.465 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 66.4 Cg_exo -48.02 170.93 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.697 2.265 . . . . 0.0 112.357 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -83.91 -41.97 16.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.548 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.0 pttm -66.55 -26.85 67.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.548 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 12.3 m-30 -84.46 24.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -60.7 78.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' TYR . 2.8 ttpm? -175.21 134.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -56.53 87.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.463 HG21 ' N ' ' A' ' 62' ' ' TRP . 26.2 mt -74.66 155.21 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.525 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 28.4 t90 -81.91 87.73 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.552 HD13 ' CE1' ' A' ' 39' ' ' HIS . 86.0 mt -116.64 115.01 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.525 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 43.4 mtmt -118.95 170.78 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -57.75 146.72 30.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.455 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 89.41 -35.73 3.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.454 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -53.72 122.28 9.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -90.99 129.02 37.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -127.74 168.05 15.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 85' ' ' SER . 91.9 mt -111.26 107.64 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.5 m -102.18 157.08 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -122.34 129.64 25.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 110.855 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.0 49.45 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.9 mt -118.79 153.8 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.78 177.8 1.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -42.42 113.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.95 -141.13 3.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -51.97 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -82.6 18.66 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.9 t -100.15 138.19 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -83.44 -44.57 14.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 72' ' ' ASP . . . -153.91 178.4 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -134.1 138.39 45.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.459 HG21 ' N ' ' A' ' 85' ' ' SER . 40.9 mt -55.36 146.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.459 ' N ' HG21 ' A' ' 84' ' ' ILE . 30.2 m -115.33 -42.65 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.815 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -153.18 173.02 16.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -114.29 104.76 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.4 mt -69.04 154.21 42.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' LYS . 26.7 p -133.1 159.49 39.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' CYS . 2.4 mmmm -34.77 -45.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' HIS . 5.5 m-20 -63.58 -63.87 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' VAL . 3.3 t-160 -36.58 -59.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' HIS . 84.6 t -34.27 -59.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -43.07 -58.66 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.1 m -41.78 -61.74 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.414 HD21 ' CD ' ' A' ' 21' ' ' PRO . 39.6 mt -55.22 -43.36 74.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -56.92 -39.26 74.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -72.45 -47.76 46.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.51 -22.61 66.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.85 40.81 5.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -115.46 -35.84 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.517 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 49.8 t-105 -53.61 139.18 50.31 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.572 0.701 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 54.1 Cg_endo -69.67 -175.05 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.382 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -108.74 -34.39 6.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.36 -7.56 14.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -125.35 12.5 8.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -93.11 -30.83 15.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 80.6 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.886 0.374 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.0 t -123.88 130.97 24.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.711 . . . . 0.0 111.129 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -48.0 119.61 4.06 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.256 . . . . 0.0 112.365 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -70.21 152.41 44.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -42.14 -50.46 4.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -66.25 -46.07 78.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -60.55 175.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -162.28 153.15 17.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.8 mt -94.32 125.14 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.77 165.81 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.51 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 28.0 ttt180 -113.68 138.13 50.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.5 t -70.56 159.52 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.4 mt -129.07 -63.42 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -158.51 127.88 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.537 HG21 ' CE1' ' A' ' 39' ' ' HIS . 9.7 m -94.74 120.42 64.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.574 0.702 . . . . 0.0 111.199 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -1.79 9.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.34 -49.3 0.96 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -52.43 -174.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.7 p30 -81.36 40.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.408 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 40.2 mt -138.1 160.63 38.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.56 ' CE1' HD12 ' A' ' 63' ' ' ILE . 31.0 m-70 -145.41 132.17 20.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -89.49 114.83 26.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.5 m -119.52 177.56 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -140.62 143.4 35.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.5 p -86.7 176.62 7.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.79 -19.54 60.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -92.14 23.48 3.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.3 65.63 3.32 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -138.92 107.91 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -85.63 143.44 28.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -165.94 179.9 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -114.68 155.82 25.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.5 m -136.68 143.31 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 t -87.56 163.73 16.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.404 ' CE ' HD12 ' A' ' 61' ' ' ILE . 5.6 tpt -98.44 133.27 22.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.688 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.4 Cg_exo -48.0 169.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 t -87.03 -25.49 24.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.548 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 19.9 pttt -84.73 -16.26 42.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.563 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 12.1 m-30 -94.23 31.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -63.05 79.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -175.02 166.18 3.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -81.61 85.31 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 62' ' ' TRP . 22.1 mt -74.71 141.17 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.442 ' N ' HG22 ' A' ' 61' ' ' ILE . 23.0 t90 -75.04 87.18 2.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.56 HD12 ' CE1' ' A' ' 39' ' ' HIS . 69.8 mt -115.07 109.03 26.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.418 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 7.6 mtmp? -105.4 -178.51 3.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -79.07 144.97 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.74 -35.13 4.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -58.84 127.33 31.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.51 ' CE2' ' HB2' ' A' ' 29' ' ' ARG . 56.3 m-85 -89.81 132.82 35.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.3 mt -131.5 169.26 16.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' SER . 97.4 mt -109.8 112.4 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 m -111.24 155.28 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -124.47 136.3 27.61 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.613 0.72 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 150.77 68.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.459 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 13.9 mt -119.85 151.35 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.14 173.01 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -39.28 103.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.97 -138.24 2.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -52.25 -177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.374 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -83.05 19.51 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.9 t -100.04 141.94 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.453 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 5.1 mmpt? -81.36 -54.14 5.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 72' ' ' ASP . . . -145.06 179.16 7.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.048 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.459 ' HG3' ' CD1' ' A' ' 74' ' ' ILE . 26.0 mt-10 -131.49 140.93 49.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 62.2 mt -53.51 145.04 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' ILE . 14.4 m -114.42 -44.82 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.448 ' CG ' ' O ' ' A' ' 85' ' ' SER . 91.7 m-85 -160.13 161.54 33.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.1 t -102.97 105.49 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.3 mt -66.74 150.44 49.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' LYS . 88.6 m -122.48 159.44 27.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' CYS . 21.0 mmmt -36.34 -45.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -64.03 -56.18 16.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 93' ' ' VAL . 2.1 t-160 -40.61 -62.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 92' ' ' HIS . 93.6 t -34.9 -54.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.51 -51.13 57.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.5 m -49.68 -65.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 39.9 mt -47.13 -44.16 21.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -59.6 -41.34 90.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -69.37 -39.45 78.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.99 -20.68 63.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.87 39.66 6.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -116.0 -42.59 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.511 ' CD2' ' HD2' ' A' ' 103' ' ' PRO . 61.7 t-105 -42.26 137.38 2.19 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.576 0.703 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.511 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 54.0 Cg_endo -69.72 168.67 20.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.377 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -90.57 -30.23 17.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.15 -8.21 29.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -127.48 -2.94 6.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.69 -48.26 82.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.815 0.34 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.9 t -138.3 132.68 16.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 111.161 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.98 119.22 3.69 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.464 ' N ' ' HB2' ' A' ' 25' ' ' GLN . 39.2 m -54.24 -176.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -57.84 -47.55 82.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -82.32 -43.98 16.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.464 ' HB2' ' N ' ' A' ' 22' ' ' SER . 14.8 mt-30 -43.91 139.75 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -135.3 146.0 48.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.407 ' CD1' HD12 ' A' ' 96' ' ' LEU . 97.2 mt -89.03 118.87 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.447 ' CG2' HG22 ' A' ' 41' ' ' VAL . 29.0 m -123.18 176.6 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.48 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 25.8 ttp180 -124.4 142.76 51.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.3 t -75.95 148.55 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.431 ' CD1' ' HD3' ' A' ' 48' ' ' ARG . 49.4 mt -124.7 -60.24 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -151.86 142.15 22.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.6 m -115.68 116.64 40.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.591 0.71 . . . . 0.0 111.157 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 3.03 2.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.04 -48.57 1.78 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -51.64 -174.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -81.59 40.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.1 mt -136.89 162.0 34.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.457 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 56.1 m-70 -146.74 139.47 25.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -99.99 110.89 23.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.447 HG22 ' CG2' ' A' ' 28' ' ' VAL . 32.7 m -121.47 174.21 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -134.94 152.73 51.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.7 p -93.29 -179.58 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.08 -25.05 61.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -88.39 24.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.74 66.72 2.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -137.63 104.96 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.431 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 50.6 mtt180 -81.48 146.6 30.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -167.6 172.45 9.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -107.11 153.33 22.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 39' ' ' HIS . 30.2 m -131.25 166.76 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -116.81 162.35 17.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.0 tpt -96.09 130.36 31.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.714 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 Cg_exo -48.02 141.93 16.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.335 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.3 m -59.76 -38.88 83.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.16 -8.32 58.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 3.5 m-30 -94.03 30.7 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -66.62 85.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -174.86 173.61 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -92.37 77.79 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 62' ' ' TRP . 16.5 mt -68.2 145.46 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.161 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.46 ' N ' HG22 ' A' ' 61' ' ' ILE . 14.4 t-105 -74.92 101.56 4.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.44 HG21 ' N ' ' A' ' 64' ' ' LYS . 51.6 mt -121.64 136.2 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.44 ' N ' HG21 ' A' ' 63' ' ' ILE . 9.0 mmpt? -131.63 162.09 31.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.468 ' HG2' ' N ' ' A' ' 66' ' ' GLY . 14.7 ttt180 -64.45 145.98 55.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.468 ' N ' ' HG2' ' A' ' 65' ' ' ARG . . . 82.93 -32.66 2.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -46.86 128.02 10.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.48 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 24.5 m-85 -88.13 131.84 34.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.4 mt -134.41 161.57 34.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 57.6 mt -100.69 109.52 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.2 m -101.18 147.25 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -120.59 128.69 25.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.643 0.735 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 143.78 52.09 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 8.3 mt -117.06 151.39 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.27 -177.25 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -38.25 121.5 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.4 -146.34 5.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -55.21 -174.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.917 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -83.69 22.12 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.8 t -100.24 137.28 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.448 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 8.7 mmpt? -78.0 -62.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -137.42 177.02 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.462 ' HG3' ' CD1' ' A' ' 74' ' ' ILE . 19.2 mt-10 -131.09 145.49 52.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 35.4 mt -54.69 139.74 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.9 m -114.16 -48.32 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -155.15 134.32 12.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.5 t -79.31 106.98 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.41 HD22 ' CG ' ' A' ' 92' ' ' HIS . 35.4 mt -67.31 125.48 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 59.0 m -98.29 162.01 13.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -40.51 -44.82 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -56.24 13.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' VAL . 3.2 t-160 -40.61 -60.64 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.514 HG12 ' CZ2' ' A' ' 102' ' ' TRP . 91.9 t -35.33 -52.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -49.68 72.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.9 m -48.84 -58.22 5.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.407 HD12 ' CD1' ' A' ' 27' ' ' ILE . 51.5 mt -56.26 -40.65 74.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -58.9 -46.71 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -62.27 -47.06 86.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -61.62 -28.85 69.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.63 31.5 7.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -108.41 -42.6 4.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.362 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.514 ' CZ2' HG12 ' A' ' 93' ' ' VAL . 60.8 t-105 -40.0 138.07 1.13 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.566 0.698 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.3 Cg_endo -69.78 160.5 49.47 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -84.3 -40.77 17.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -52.84 -39.11 62.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.077 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -100.96 23.27 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.3 t -98.2 -44.12 6.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.7 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.871 0.367 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.5 t -121.45 136.08 25.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.94 120.81 5.14 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.686 2.257 . . . . 0.0 112.334 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t -69.94 -177.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -63.08 -48.09 80.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -75.18 -42.51 55.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -56.52 169.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -162.27 147.53 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 89.8 mt -87.36 128.73 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.6 m -133.95 178.17 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.482 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 30.8 ttp180 -128.32 137.54 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.1 t -70.3 156.98 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.0 mt -134.08 -47.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.416 ' NH1' ' HA ' ' A' ' 34' ' ' PRO . 0.8 OUTLIER -169.01 146.28 3.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.406 ' N ' ' HD3' ' A' ' 32' ' ' ARG . 15.2 m -119.98 119.98 30.63 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.587 0.708 . . . . 0.0 111.167 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.416 ' HA ' ' NH1' ' A' ' 32' ' ' ARG . 53.7 Cg_endo -69.69 1.37 4.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.57 -48.34 1.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -52.16 -174.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -81.54 40.69 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.468 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 26.3 mt -133.01 166.36 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.519 ' CE1' HD13 ' A' ' 63' ' ' ILE . 45.1 m-70 -152.66 128.37 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -87.6 111.64 21.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.821 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.618 ' CG2' ' CZ ' ' A' ' 49' ' ' PHE . 26.1 m -120.42 171.23 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -130.01 155.34 46.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 p -98.29 -176.59 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.82 -28.15 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -87.0 26.27 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.36 62.1 6.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -129.91 110.87 12.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 110.952 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -82.4 145.64 29.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.618 ' CZ ' ' CG2' ' A' ' 41' ' ' VAL . 19.0 p90 -167.5 173.21 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.7 mt -111.35 150.75 29.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.6 m -130.28 162.21 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -108.26 163.41 13.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.435 ' CE ' HD11 ' A' ' 61' ' ' ILE . 5.5 tpt -98.08 128.2 34.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.564 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 66.5 Cg_exo -48.06 157.49 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t -75.43 -44.5 44.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.547 ' HG3' ' CE1' ' A' ' 57' ' ' TYR . 6.9 pttp -62.1 -20.3 63.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.564 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 13.5 m-30 -95.92 32.01 1.98 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 -63.48 77.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 57' ' ' TYR . 28.2 mttt -161.94 -175.27 4.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -100.11 79.64 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.435 HD11 ' CE ' ' A' ' 53' ' ' MET . 21.3 mt -71.35 137.52 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.402 ' CZ2' ' HD2' ' A' ' 64' ' ' LYS . 13.7 t-105 -77.36 101.66 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.519 HD13 ' CE1' ' A' ' 39' ' ' HIS . 57.1 mt -116.94 135.05 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.436 ' N ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -121.39 174.08 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -78.73 139.45 38.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.56 -32.74 5.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -47.72 129.49 13.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.821 0.343 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.482 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 54.3 m-85 -88.25 123.08 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.6 mt -126.8 159.07 34.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.94 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 85' ' ' SER . 75.5 mt -102.14 110.96 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.3 m -106.28 155.79 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 12.4 t0 -126.73 133.88 25.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 147.5 62.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.418 HD13 ' CD ' ' A' ' 83' ' ' GLU . 12.6 mt -118.84 146.08 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -59.3 -175.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -48.31 114.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.46 -136.14 1.95 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -57.31 -176.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.923 0.392 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -83.85 20.25 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.472 HG11 ' N ' ' A' ' 81' ' ' LYS . 58.8 t -100.28 139.21 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.472 ' N ' HG11 ' A' ' 80' ' ' VAL . 6.0 mmpt? -78.78 -56.16 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 72' ' ' ASP . . . -143.17 -176.02 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.418 ' CD ' HD13 ' A' ' 74' ' ' ILE . 43.8 mt-10 -139.94 144.8 37.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 85' ' ' SER . 44.0 mt -53.64 141.13 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.516 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 67.5 m -113.33 -41.7 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 85' ' ' SER . 96.4 m-85 -161.53 155.81 22.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.41 122.68 48.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 28.9 mt -87.02 147.1 25.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 90' ' ' LYS . 26.4 p -125.64 162.57 24.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 89' ' ' CYS . 14.8 tptp -34.36 -53.88 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 92' ' ' HIS . 4.8 t0 -62.36 -60.31 3.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t-160 -34.31 -59.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.569 HG22 ' CH2' ' A' ' 102' ' ' TRP . 77.0 t -48.48 -45.07 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 91' ' ' ASP . 16.6 mmt180 -49.6 -43.49 46.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.8 m -65.87 -62.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 70.5 mt -43.36 -42.91 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -61.74 -45.58 93.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -66.25 -44.27 84.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -59.65 -29.12 67.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.38 40.93 4.08 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.529 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 102' ' ' TRP . 59.8 m-85 -119.65 -45.64 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.569 ' CH2' HG22 ' A' ' 93' ' ' VAL . 61.7 t-105 -38.22 139.46 0.65 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.6 0.714 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.7 Cg_endo -69.8 170.96 15.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -94.16 -32.07 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.23 91.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -100.65 24.11 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.6 t -95.91 -38.14 10.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.874 0.368 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.0 t -131.35 127.11 21.62 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.647 0.737 . . . . 0.0 111.134 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.442 ' CD ' HD21 ' A' ' 96' ' ' LEU . 65.8 Cg_exo -47.98 123.28 8.41 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 t -78.72 -177.34 5.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -62.51 -36.32 82.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -81.76 -39.12 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.44 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 52.1 mt-30 -72.24 158.52 35.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -154.77 144.51 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.1 mt -88.98 136.52 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.42 ' CG2' ' CG2' ' A' ' 41' ' ' VAL . 26.8 m -143.25 171.28 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.515 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 9.4 ttt-85 -115.51 135.08 54.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.3 t -71.93 144.3 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.2 mt -114.41 -64.6 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -152.81 144.92 23.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.438 HG21 ' CE1' ' A' ' 39' ' ' HIS . 9.2 m -112.11 120.81 40.94 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.538 0.685 . . . . 0.0 111.184 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -10.75 29.38 Favored 'Trans proline' 0 N--CA 1.466 -0.134 0 C-N-CA 122.736 2.291 . . . . 0.0 112.345 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.75 -49.79 0.83 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -51.71 -174.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -81.4 40.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.554 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 20.5 mt -133.88 169.81 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 38' ' ' LEU . 41.7 m-70 -154.75 134.4 12.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -91.78 123.62 35.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.42 ' CG2' ' CG2' ' A' ' 28' ' ' VAL . 20.9 m -131.71 173.02 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.091 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -136.01 142.76 44.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.3 p -86.73 174.42 8.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.9 -23.14 64.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -89.63 24.08 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.06 61.71 7.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -130.72 103.53 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.7 mtt85 -86.25 142.46 28.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -168.74 179.16 4.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -111.0 157.59 19.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.3 m -138.5 150.43 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -99.53 164.17 12.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.433 ' SD ' ' CD1' ' A' ' 84' ' ' ILE . 6.0 tpt -97.23 130.63 29.2 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.594 0.711 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.506 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.5 Cg_exo -47.99 164.34 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.229 . . . . 0.0 112.394 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.8 m -80.45 -39.16 28.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.501 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 26.6 pttt -71.2 -15.29 62.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.506 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 11.1 m-30 -95.2 27.6 3.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -60.3 79.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' TYR . 15.3 tptt -175.06 137.33 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -60.5 87.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 62' ' ' TRP . 16.1 mt -75.11 149.56 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.423 ' N ' HG22 ' A' ' 61' ' ' ILE . 14.8 t-105 -78.27 101.54 7.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.492 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 53.8 mt -120.51 137.17 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.457 ' N ' HG21 ' A' ' 63' ' ' ILE . 9.0 mmpt? -131.12 171.73 12.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -70.74 144.1 51.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.59 -23.74 9.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -56.17 126.62 26.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.515 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 81.9 m-85 -89.6 130.08 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.0 mt -137.42 170.54 15.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 85' ' ' SER . 96.6 mt -111.42 119.76 60.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 m -114.45 150.99 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -120.12 135.78 24.61 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.661 0.743 . . . . 0.0 110.877 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 151.01 68.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.454 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 7.3 mt -118.97 158.75 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' GLU . 6.3 pt-20 -82.3 176.55 9.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 75' ' ' GLU . 51.0 mm-40 -37.73 102.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -163.87 -125.78 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.94 168.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 18.55 0.84 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.1 t -99.98 134.64 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.466 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 9.3 mmpt? -69.55 -54.13 15.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.1 177.13 8.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.123 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.454 ' HG3' ' CD1' ' A' ' 74' ' ' ILE . 30.3 mt-10 -136.52 140.37 42.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.433 ' CD1' ' SD ' ' A' ' 53' ' ' MET . 53.9 mt -47.89 157.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.14 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 70' ' ' ILE . 9.4 m -131.99 -34.41 1.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 85' ' ' SER . 94.4 m-85 -161.36 168.09 24.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.9 t -111.71 105.99 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.509 HD22 ' CG ' ' A' ' 92' ' ' HIS . 17.8 mt -68.39 154.06 42.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' LYS . 69.0 m -132.88 162.07 32.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' CYS . 37.6 mttt -36.21 -51.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' HIS . 50.7 m-20 -60.16 -59.48 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.509 ' CG ' HD22 ' A' ' 88' ' ' LEU . 2.8 t-160 -35.76 -57.47 0.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.567 HG23 ' CH2' ' A' ' 102' ' ' TRP . 90.3 t -48.39 -48.18 13.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.4 mmm-85 -46.6 -35.87 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.3 m -71.81 -73.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.442 HD21 ' CD ' ' A' ' 21' ' ' PRO . 13.9 mt -47.29 -22.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.14 -36.78 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 7.3 ptpp? -81.85 -35.16 29.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 24.1 mt-10 -69.16 -19.79 64.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.32 38.94 6.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -115.21 -48.13 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.567 ' CH2' HG23 ' A' ' 93' ' ' VAL . 61.3 t-105 -39.64 138.57 0.98 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.517 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.5 Cg_endo -69.74 156.63 62.91 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -77.28 -48.14 18.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -46.24 -28.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 9.1 m-30 -101.56 -30.61 11.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.8 t -45.18 -29.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 -179.894 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.902 0.382 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.7 t -131.95 130.53 22.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.717 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -47.94 123.1 8.1 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.359 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 m -67.57 174.91 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -60.15 -48.56 81.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -75.85 -37.11 59.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -64.07 161.24 16.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -154.76 149.23 26.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.5 mt -88.91 125.19 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.7 m -130.23 -179.66 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 17.8 ttt180 -125.99 134.99 51.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.87 147.25 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.9 mt -119.44 -51.7 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 32' ' ' ARG . 4.8 ptp180 -168.05 156.26 8.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.8 m -123.61 121.14 26.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 111.133 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -18.0 37.18 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.24 -46.84 1.07 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -53.48 -174.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -81.34 40.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.427 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 22.5 mt -135.6 169.88 16.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.543 ' CE1' HD13 ' A' ' 63' ' ' ILE . 51.2 m-70 -152.05 132.26 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -89.76 113.56 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.473 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 19.8 m -120.06 -175.71 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -145.89 147.88 32.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.0 p -89.63 178.35 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.09 -22.21 61.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -91.56 25.43 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.29 61.66 7.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -130.79 104.88 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -82.04 143.73 31.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.473 ' CZ ' HG22 ' A' ' 41' ' ' VAL . 30.4 p90 -167.18 176.65 6.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -109.52 147.72 32.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 39' ' ' HIS . 30.9 m -122.85 165.5 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.6 p -99.8 179.26 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.8 tpt -124.96 119.14 25.5 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 66.3 Cg_exo -47.98 162.29 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.331 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.6 t -76.85 -47.44 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.54 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 31.8 pttt -60.46 -15.81 30.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.54 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.0 m-30 -95.48 30.26 2.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -67.15 80.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -175.02 -179.49 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.49 81.74 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.444 HG21 ' N ' ' A' ' 62' ' ' TRP . 25.2 mt -70.77 150.36 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.468 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 26.0 t90 -76.73 87.07 3.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.543 HD13 ' CE1' ' A' ' 39' ' ' HIS . 47.1 mt -116.46 110.65 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 45.8 mtmt -120.66 172.05 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -66.31 125.92 27.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.442 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 111.4 -29.2 8.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.65 125.92 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' A' ' 106' ' ' PHE . 12.6 m-85 -89.01 136.27 33.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.1 mt -140.31 154.91 46.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 85' ' ' SER . 66.6 mt -94.42 119.0 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.7 m -111.32 150.94 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.82 126.18 27.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 147.11 62.35 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.424 HD12 ' CD ' ' A' ' 83' ' ' GLU . 10.5 mt -121.19 149.59 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.418 ' N ' HG22 ' A' ' 74' ' ' ILE . 1.9 pt-20 -67.09 -178.87 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -42.01 113.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.41 -134.81 1.78 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -53.76 175.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.5 18.53 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.3 t -100.21 140.97 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.461 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 10.7 mmpt? -76.34 -66.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.32 178.02 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.424 ' CD ' HD12 ' A' ' 74' ' ' ILE . 8.3 mt-10 -128.22 136.9 51.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 72.1 mt -52.56 147.94 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.2 m -122.0 -45.95 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -154.26 164.03 39.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.6 t -107.82 104.59 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.504 HD23 ' CG ' ' A' ' 92' ' ' HIS . 19.5 mt -67.43 145.09 55.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 90' ' ' LYS . 2.3 t -121.89 162.15 21.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 89' ' ' CYS . 62.8 mttp -36.97 -43.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 92' ' ' HIS . 1.4 p-10 -66.78 -61.39 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.876 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.504 ' CG ' HD23 ' A' ' 88' ' ' LEU . 3.4 t-160 -36.96 -59.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 94' ' ' ARG . 58.4 t -36.29 -70.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' VAL . 1.8 mpt_? -36.2 -47.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -51.09 -64.84 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 40.8 mt -51.2 -41.81 60.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -56.58 -52.13 65.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -66.28 -33.46 75.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -69.16 -24.16 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.11 38.81 5.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -120.11 -45.37 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.525 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 58.6 t-105 -40.15 139.3 1.04 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.75 -172.69 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.623 2.216 . . . . 0.0 112.36 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -105.94 -41.6 5.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.0 -34.66 63.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.4 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 3.9 m-85 -102.09 17.16 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -95.7 -31.55 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.92 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 84.0 mt . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.845 0.355 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.459 ' CG1' ' HD2' ' A' ' 21' ' ' PRO . 59.3 t -139.13 139.14 22.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 111.165 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HD2' ' CG1' ' A' ' 20' ' ' VAL . 65.1 Cg_exo -47.92 121.98 6.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.314 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.646 ' H ' ' NE2' ' A' ' 25' ' ' GLN . 7.4 t -62.2 174.91 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 23' ' ' ASN . 29.6 t-20 -54.95 -52.82 61.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -75.15 -37.11 61.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.646 ' NE2' ' H ' ' A' ' 22' ' ' SER . 11.8 mt-30 -53.12 167.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -159.8 148.84 17.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.1 mt -91.75 117.54 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.1 m -125.12 175.13 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.486 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 55.1 ttp180 -123.17 129.49 51.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 31' ' ' LEU . 18.1 t -64.03 150.22 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.428 ' N ' HG12 ' A' ' 30' ' ' VAL . 25.1 mt -121.48 -59.16 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -160.71 134.86 7.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.56 HG22 ' CE1' ' A' ' 39' ' ' HIS . 9.0 m -104.37 120.72 49.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.589 0.709 . . . . 0.0 111.131 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -0.86 7.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.08 -50.56 0.83 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -52.2 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.926 0.394 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -81.23 40.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.508 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 20.1 mt -134.85 166.9 21.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.564 ' CE1' HD11 ' A' ' 63' ' ' ILE . 42.3 m-70 -153.06 137.54 16.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -96.46 110.78 23.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.9 m -120.88 170.58 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -133.48 146.39 51.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -88.47 -178.87 5.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.84 -19.53 60.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -91.81 24.13 3.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.19 61.68 7.18 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -133.79 108.31 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.994 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -85.42 144.42 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -167.67 173.34 8.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -107.09 155.93 19.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 m -139.13 147.35 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 t -93.96 163.89 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.423 ' SD ' ' CD1' ' A' ' 84' ' ' ILE . 4.9 tpt -96.34 132.27 26.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.506 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.6 Cg_exo -48.02 143.84 13.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.268 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.2 m -64.21 -8.69 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.613 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -93.19 -39.68 10.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.613 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 22.1 m-30 -82.26 38.33 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -64.22 76.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 57' ' ' TYR . 21.8 ttmt -175.96 137.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -55.56 89.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 62' ' ' TRP . 21.3 mt -76.34 153.65 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.454 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 28.3 t90 -78.29 88.09 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.564 HD11 ' CE1' ' A' ' 39' ' ' HIS . 56.1 mt -117.46 116.46 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 34.4 mtmt -115.45 171.65 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -70.26 146.57 50.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.48 -30.51 8.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -65.48 134.06 52.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.486 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 71.5 m-85 -94.89 123.3 38.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.9 mt -124.55 162.29 24.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 85' ' ' SER . 93.1 mt -104.44 116.3 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.8 m -113.23 157.1 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -125.76 135.66 27.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.48 67.65 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 11.6 mt -124.19 153.0 30.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 76' ' ' GLU . 4.7 pt-20 -72.37 173.23 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 75' ' ' GLU . 34.9 mt-10 -35.7 111.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -163.15 -137.1 2.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -58.45 -174.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -83.17 21.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.9 t -100.16 138.11 25.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.471 ' HE3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -82.98 -50.87 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.91 178.71 7.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.461 ' HG3' ' CD1' ' A' ' 74' ' ' ILE . 17.6 mt-10 -136.24 139.77 42.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 85' ' ' SER . 64.8 mt -50.05 156.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.539 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 20.0 m -129.05 -43.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.539 ' CG ' ' O ' ' A' ' 85' ' ' SER . 92.5 m-85 -162.95 153.07 16.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.3 t -95.02 107.64 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.417 HD23 ' CG ' ' A' ' 92' ' ' HIS . 29.1 mt -66.03 146.77 54.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 33.6 m -122.16 171.86 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -42.35 -61.09 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 94' ' ' ARG . 8.8 m-20 -54.56 -58.98 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.6 t-160 -36.47 -59.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.566 HG22 ' CH2' ' A' ' 102' ' ' TRP . 71.8 t -48.44 -38.17 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 91' ' ' ASP . 17.7 mmt180 -59.51 -47.89 83.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' LYS . 26.4 m -60.03 -66.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.9 mt -41.87 -44.02 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -60.88 -35.64 77.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 95' ' ' SER . 4.8 mmmm -77.36 -47.51 19.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -59.14 -26.15 64.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.87 45.01 3.47 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -121.29 -38.06 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.566 ' CH2' HG22 ' A' ' 93' ' ' VAL . 50.5 t-105 -47.11 139.14 7.36 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.602 0.715 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.6 Cg_endo -69.78 -174.54 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.673 2.248 . . . . 0.0 112.345 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -107.39 -38.95 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.59 -8.45 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -126.17 10.95 7.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -87.23 -35.23 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 76.2 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.884 0.373 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.5 t -130.54 132.56 24.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -48.0 119.36 3.83 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.657 2.238 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.7 p -74.6 178.57 5.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -28.35 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -92.3 -36.9 12.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.407 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 13.2 mt-30 -70.91 159.95 33.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -151.58 150.49 30.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -93.59 124.24 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.454 HG22 ' CG2' ' A' ' 41' ' ' VAL . 16.1 m -129.29 172.31 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.418 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 22.0 ttt180 -119.45 130.37 55.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 31' ' ' LEU . 92.1 t -68.25 137.58 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.451 ' N ' HG12 ' A' ' 30' ' ' VAL . 22.2 mt -109.19 -53.58 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -162.74 161.21 26.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.401 HG23 ' CE1' ' A' ' 39' ' ' HIS . 15.5 m -133.42 123.87 17.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -20.32 35.13 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.62 -49.22 0.93 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -51.75 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -81.33 40.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.455 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 19.1 mt -134.8 164.78 26.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.455 ' CD2' ' C ' ' A' ' 38' ' ' LEU . 40.9 m-70 -151.16 138.49 19.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -95.03 109.96 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.55 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 28.8 m -116.77 170.39 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -134.92 148.24 50.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.7 p -90.93 -176.27 4.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.76 -23.77 55.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -90.39 25.78 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.54 62.22 6.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -130.74 103.3 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.923 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.423 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 51.4 mtt180 -82.49 143.01 31.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.55 ' CZ ' HG22 ' A' ' 41' ' ' VAL . 43.3 p90 -167.05 173.41 9.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.6 mt -108.81 155.89 20.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.13 150.1 26.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -93.58 170.84 9.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.435 ' SD ' ' CD1' ' A' ' 84' ' ' ILE . 5.4 tpt -108.77 128.45 25.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.702 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 64.8 Cg_exo -47.94 162.12 0.3 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -80.02 -38.47 31.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.449 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.8 pttp -70.02 -15.76 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 12.7 m-30 -97.72 28.87 3.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.81 81.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -173.5 178.8 2.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -88.54 91.75 8.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 62' ' ' TRP . 17.7 mt -86.8 153.44 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.456 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 18.4 t-105 -74.73 92.95 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.424 HG21 ' CE1' ' A' ' 39' ' ' HIS . 52.2 mt -120.43 120.24 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 19.2 mtmt -141.17 178.37 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 -71.36 148.08 47.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.418 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 81.24 -6.69 62.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.464 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.25 123.67 28.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.825 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -88.73 130.11 35.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.1 mt -142.61 150.16 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.407 ' CG2' ' HB3' ' A' ' 25' ' ' GLN . 89.1 mt -89.28 131.09 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.78 151.89 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 7.4 t70 -120.62 137.03 25.81 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.645 0.736 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.54 66.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.298 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.562 ' CD1' ' CG ' ' A' ' 83' ' ' GLU . 5.8 mt -114.64 159.54 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -77.41 175.88 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -45.68 95.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.48 -115.58 1.07 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -77.92 -174.64 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -83.21 22.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.8 t -100.06 137.19 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.451 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 2.8 mmpt? -76.04 -57.39 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 72' ' ' ASP . . . -141.13 177.26 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.562 ' CG ' ' CD1' ' A' ' 74' ' ' ILE . 3.5 mt-10 -129.45 132.67 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.435 ' CD1' ' SD ' ' A' ' 53' ' ' MET . 73.9 mt -45.91 146.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 71.7 m -119.03 -46.67 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -153.41 168.74 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 95.3 t -111.43 112.59 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 40.1 mt -75.38 143.17 42.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.47 172.29 7.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -48.42 -42.84 33.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -70.4 -57.83 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.844 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.6 t-160 -37.66 -57.33 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.549 HG22 ' CH2' ' A' ' 102' ' ' TRP . 65.7 t -45.52 -40.2 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 91' ' ' ASP . 20.6 mmt180 -53.73 -53.89 45.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 98' ' ' LYS . 71.2 m -52.73 -69.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.9 mt -38.09 -42.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -63.86 -44.71 92.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 95' ' ' SER . 13.0 ptmt -79.1 -14.07 59.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -85.8 -18.04 34.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.85 33.7 17.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -119.25 -41.92 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.549 ' CH2' HG22 ' A' ' 93' ' ' VAL . 60.9 t-105 -43.02 139.45 2.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.586 0.708 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.9 Cg_endo -69.78 -163.89 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -115.06 -39.23 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.92 -18.78 36.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -114.66 17.31 17.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 t -100.28 -31.65 11.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 76.8 mt . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.8 t -133.27 134.5 24.13 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.624 0.726 . . . . 0.0 111.1 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -47.92 122.93 7.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.0 m -71.84 173.06 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -56.55 -48.07 78.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.449 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 20.7 mt-30 -71.78 -38.38 70.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -65.31 173.83 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -165.35 150.47 9.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.7 mt -91.44 135.15 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.413 ' CG2' HG21 ' A' ' 41' ' ' VAL . 17.6 m -141.49 162.39 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . 26.1 ttp180 -109.0 138.01 46.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 31' ' ' LEU . 92.5 t -71.87 150.66 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' CD1' ' HD3' ' A' ' 48' ' ' ARG . 43.8 mt -125.04 -61.83 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -150.82 177.54 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.533 HG22 ' CE1' ' A' ' 39' ' ' HIS . 3.0 m -146.62 120.87 5.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.525 0.679 . . . . 0.0 111.139 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -5.94 17.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.23 . . . . 0.0 112.332 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.73 -47.14 1.07 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -56.59 -174.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -81.5 40.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.6 mt -132.54 167.7 19.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.585 ' CE1' ' CD1' ' A' ' 63' ' ' ILE . 61.9 m-70 -153.28 140.82 19.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -95.37 103.1 14.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.413 HG21 ' CG2' ' A' ' 28' ' ' VAL . 33.7 m -108.03 169.16 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -133.32 146.87 51.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.0 p -89.02 175.03 7.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.29 -20.12 61.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -91.31 24.06 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.6 62.63 5.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -136.27 105.58 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.452 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 39.0 mtt85 -85.85 142.92 28.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -167.17 173.14 9.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.28 156.86 17.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.6 m -136.85 151.31 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.14 162.37 13.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.9 tpt -95.87 131.47 29.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.546 0.689 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 66.1 Cg_exo -48.02 160.65 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.4 t -83.17 -15.99 48.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.537 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 14.7 pttm -93.47 -15.43 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.537 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.4 m-30 -93.64 23.33 4.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -57.99 79.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 57' ' ' TYR . 36.5 mttt -166.15 -176.43 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -99.19 84.43 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.47 HG21 ' N ' ' A' ' 62' ' ' TRP . 22.7 mt -79.82 136.93 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.578 ' CZ2' ' NZ ' ' A' ' 64' ' ' LYS . 7.4 t90 -74.81 86.97 2.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.585 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 72.8 mt -95.99 140.54 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.578 ' NZ ' ' CZ2' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -138.02 -177.36 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -82.57 143.31 31.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.81 -41.3 2.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -43.01 119.81 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 29' ' ' ARG . 30.9 m-85 -88.68 130.22 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.6 mt -130.39 170.0 14.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 85' ' ' SER . 70.3 mt -109.72 114.29 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 m -109.24 151.93 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 32.9 t70 -119.29 133.13 23.76 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.605 0.717 . . . . 0.0 110.842 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.449 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 54.0 Cg_endo -69.75 148.09 64.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.0 mt -119.98 154.35 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.73 171.75 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -37.2 110.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.03 -133.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.67 -174.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.947 0.403 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 19.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.8 t -100.18 137.73 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.443 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 8.7 mmpt? -82.09 -48.12 11.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 72' ' ' ASP . . . -151.22 174.78 12.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -129.85 139.54 51.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.451 HG23 ' N ' ' A' ' 85' ' ' SER . 62.7 mt -46.49 157.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.062 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.547 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 40.3 m -129.62 -41.06 1.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 85' ' ' SER . 89.4 m-85 -163.05 166.13 23.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 69.6 t -106.81 108.46 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.415 HD23 ' ND1' ' A' ' 92' ' ' HIS . 13.2 mt -74.7 133.25 42.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 82.2 m -103.68 170.12 8.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -44.08 -44.45 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.47 -61.6 1.91 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.415 ' ND1' HD23 ' A' ' 88' ' ' LEU . 3.2 t-160 -38.55 -58.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 92' ' ' HIS . 99.4 t -36.48 -53.37 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -54.67 -58.14 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.6 m -40.57 -60.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.8 mt -53.11 -41.01 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -63.29 -44.15 95.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -67.92 -37.02 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -67.87 -28.56 67.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.67 39.0 4.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 102' ' ' TRP . 75.1 m-85 -119.7 -48.13 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.523 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 61.2 t-105 -36.86 139.47 0.47 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.543 0.687 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.8 148.06 63.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.226 . . . . 0.0 112.35 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -70.44 -45.27 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -48.48 -28.9 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.42 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 7.1 m-30 -104.83 -27.79 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.0 t -48.31 -29.25 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.3 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.873 0.368 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.4 t -130.09 131.17 23.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.429 ' HG3' ' CD1' ' A' ' 70' ' ' ILE . 65.4 Cg_exo -47.95 119.33 3.78 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -63.02 162.72 10.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -49.52 -40.47 37.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -79.17 -37.86 37.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.413 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 16.1 mt-30 -61.74 165.39 5.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -158.34 145.79 18.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.972 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.9 mt -87.23 134.99 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.45 HG23 ' CG2' ' A' ' 41' ' ' VAL . 19.2 m -139.8 176.85 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -123.67 133.18 53.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.429 HG11 ' N ' ' A' ' 31' ' ' LEU . 76.6 t -66.86 155.82 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.429 ' N ' HG11 ' A' ' 30' ' ' VAL . 16.2 mt -130.68 -54.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.6 ttp85 -162.66 145.54 10.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.6 m -119.81 120.67 30.29 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.545 0.688 . . . . 0.0 111.151 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -1.69 8.89 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.83 -46.76 1.14 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -54.7 -174.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -81.08 40.7 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.6 mt -133.5 162.78 30.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.511 ' CE1' HD13 ' A' ' 63' ' ' ILE . 58.5 m-70 -149.63 138.48 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -98.26 114.7 27.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.45 ' CG2' HG23 ' A' ' 28' ' ' VAL . 19.4 m -126.06 174.29 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -134.82 150.67 50.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 p -93.29 -179.38 5.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.66 -23.9 62.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.141 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -90.12 23.99 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.29 62.04 6.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -131.46 105.07 7.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -83.36 145.82 28.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -169.26 175.82 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.5 mt -107.26 156.0 19.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.82 146.53 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 t -94.92 159.89 14.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.426 ' SD ' ' CD1' ' A' ' 84' ' ' ILE . 5.1 tpt -96.94 130.79 29.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 Cg_exo -47.99 163.51 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.5 p -83.32 -21.25 33.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.571 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 12.8 pttt -84.75 -25.22 28.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.571 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 15.6 m-30 -89.66 37.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 2.1 tmt_? -69.15 75.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 58' ' ' ARG . 5.1 mtmt -159.66 -175.0 4.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.98 79.38 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 62' ' ' TRP . 24.1 mt -69.89 141.54 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.43 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 21.4 t90 -79.14 87.24 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.954 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.511 HD13 ' CE1' ' A' ' 39' ' ' HIS . 50.4 mt -110.72 111.73 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 5.3 mtmp? -114.61 -178.87 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 66' ' ' GLY . 31.3 tpt85 -68.16 146.68 53.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 65' ' ' ARG . . . 83.49 -34.64 2.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.555 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -50.02 120.2 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -88.35 138.08 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.2 mt -141.0 163.98 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.429 ' CD1' ' HG3' ' A' ' 21' ' ' PRO . 66.9 mt -104.65 125.85 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.1 m -119.43 156.44 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.78 133.76 24.85 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.57 0.7 . . . . 0.0 110.89 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 148.9 65.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.621 2.214 . . . . 0.0 112.349 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.45 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 7.1 mt -118.19 155.06 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -76.26 179.83 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -41.91 98.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.44 -121.25 1.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -74.95 -174.96 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 20.32 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.2 t -100.17 140.15 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.453 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 6.4 mmpt? -79.66 -51.54 9.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -147.44 179.06 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.12 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.45 ' HG3' ' CD1' ' A' ' 74' ' ' ILE . 27.2 mt-10 -135.21 139.15 44.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.426 ' CD1' ' SD ' ' A' ' 53' ' ' MET . 67.2 mt -50.21 151.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ILE . 14.1 m -124.85 -43.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -153.33 161.51 42.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.6 t -105.93 107.04 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.93 157.51 38.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 99.2 m -137.71 176.56 8.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -49.02 -43.44 40.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 92' ' ' HIS . 40.9 m-20 -68.28 -64.21 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t-160 -36.72 -58.37 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.561 HG22 ' CH2' ' A' ' 102' ' ' TRP . 70.7 t -42.4 -40.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' ASP . 8.6 mmm180 -59.56 -49.27 78.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.4 t -55.86 -64.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 71.6 mt -45.18 -43.34 9.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -58.86 -51.9 68.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -61.89 -45.84 91.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -59.33 -26.81 65.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.24 41.87 4.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -120.25 -42.04 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.561 ' CH2' HG22 ' A' ' 93' ' ' VAL . 54.0 t-105 -42.64 139.42 2.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.5 Cg_endo -69.77 -178.84 2.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -101.75 -46.37 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.56 -34.8 38.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -102.69 24.44 10.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -103.73 -34.27 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.3 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.874 0.368 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t -129.06 130.84 23.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 0.0 111.128 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.468 ' CD ' HD23 ' A' ' 96' ' ' LEU . 65.0 Cg_exo -47.95 125.62 11.81 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m -76.03 174.65 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -55.84 -46.69 78.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.437 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 9.7 mt-30 -75.17 -43.99 49.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.453 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 55.1 mt-30 -64.26 148.35 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -143.87 152.33 41.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.7 mt -87.3 139.04 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.402 HG22 ' CG2' ' A' ' 41' ' ' VAL . 35.0 m -147.12 155.58 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.467 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 17.5 ttt180 -105.35 125.77 51.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 31' ' ' LEU . 20.9 t -62.87 147.71 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.46 ' N ' HG12 ' A' ' 30' ' ' VAL . 27.7 mt -118.72 -61.27 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -150.38 168.52 23.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.4 m -137.49 119.93 11.24 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.104 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -9.63 26.58 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.42 -41.98 2.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -57.06 -174.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -81.2 40.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.0 mt -135.94 163.08 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.559 ' CE1' HD13 ' A' ' 63' ' ' ILE . 36.9 m-70 -145.48 134.64 22.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -94.84 116.38 28.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.402 ' CG2' HG22 ' A' ' 28' ' ' VAL . 23.5 m -125.7 171.41 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -128.78 148.04 50.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 p -95.19 173.75 7.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.171 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.26 -24.77 66.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -88.89 24.96 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.12 55.51 28.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -124.58 109.22 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -88.34 135.64 33.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -160.99 179.93 8.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 mt -112.35 157.8 20.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.429 ' CG2' ' HB2' ' A' ' 39' ' ' HIS . 30.3 m -130.94 148.57 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -93.43 159.79 15.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.6 tpt -101.04 121.57 51.71 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.555 0.693 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.496 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.2 Cg_exo -47.96 144.63 11.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.9 m -67.48 -28.64 68.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.517 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 3.7 pttm -78.1 -18.2 55.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.5 m-30 -93.35 33.06 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 80.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -174.98 135.17 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -57.38 90.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.48 150.8 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.466 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 24.5 t90 -78.36 94.79 4.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.559 HD13 ' CE1' ' A' ' 39' ' ' HIS . 63.7 mt -123.31 105.48 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.466 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 7.1 mtmp? -109.22 -179.54 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.42 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -78.77 146.89 33.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.467 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 87.13 -18.61 35.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.443 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.74 131.9 41.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.463 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 49.2 m-85 -88.35 146.35 25.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 68' ' ' PHE . 10.4 mt -148.24 163.96 35.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.453 ' CG2' ' HB3' ' A' ' 25' ' ' GLN . 90.9 mt -107.4 111.12 34.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 32.6 m -96.66 160.13 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.426 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 1.5 p30 -121.13 116.48 31.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.718 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.437 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 53.4 Cg_endo -69.84 138.96 38.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.418 HD13 ' CD ' ' A' ' 83' ' ' GLU . 7.5 mt -117.97 164.57 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -71.15 -177.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -52.99 107.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.06 -122.93 1.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -66.39 -174.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -79.6 13.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 81' ' ' LYS . 59.0 t -100.42 141.97 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.44 ' N ' HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -87.15 -40.15 14.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.426 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -152.38 176.16 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.418 ' CD ' HD13 ' A' ' 74' ' ' ILE . 45.7 mt-10 -129.62 141.18 50.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 89.3 mt -53.77 135.18 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.7 m -107.21 -50.42 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -152.65 170.7 19.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 95.0 t -109.61 108.0 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 66.5 mt -66.68 143.24 57.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.7 t -110.88 171.39 7.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -50.32 -47.13 55.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -66.78 -49.29 66.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -45.06 -54.01 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.565 HG21 ' CH2' ' A' ' 102' ' ' TRP . 89.5 t -51.76 -27.4 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -75.81 -44.92 38.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' LEU . 74.5 m -58.47 -66.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.468 HD23 ' CD ' ' A' ' 21' ' ' PRO . 46.3 mt -36.97 -47.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -49.53 -55.86 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -48.84 -59.46 3.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -58.97 -21.26 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 88.26 34.47 9.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -103.63 -14.52 16.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TRP . . . . . 0.565 ' CH2' HG21 ' A' ' 93' ' ' VAL . 61.9 t-105 -76.81 136.84 66.59 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PRO . . . . . 0.516 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.75 158.8 55.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -77.16 -44.34 30.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -49.94 -31.87 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PHE . . . . . 0.443 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 8.0 m-30 -101.19 -15.56 17.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.0 t -60.41 -26.45 66.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 m -165.82 170.05 14.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.89 0.376 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -95.74 155.56 16.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.06 101.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.9 m -81.24 151.39 28.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m -84.76 138.01 32.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -162.78 48.02 0.33 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -71.58 -41.33 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.409 ' CG ' ' H ' ' A' ' 19' ' ' ILE . 48.1 t-80 -127.29 171.45 11.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.409 ' H ' ' CG ' ' A' ' 18' ' ' HIS . 96.7 mt -49.4 102.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 21' ' ' PRO . 97.7 t -121.97 139.74 30.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 20' ' ' VAL . 65.2 Cg_exo -47.95 122.67 7.53 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.734 2.289 . . . . 0.0 112.312 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -68.28 -176.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -65.34 -44.52 87.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -83.4 -36.18 24.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -60.72 159.92 10.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -154.68 152.35 29.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 85.7 mt -95.32 129.45 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.453 HG23 ' CG2' ' A' ' 41' ' ' VAL . 34.5 m -133.26 176.52 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.439 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 15.5 ttp180 -122.96 133.76 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 89.8 t -70.75 152.27 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.9 mt -126.54 -50.32 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.406 ' NH1' ' HB2' ' A' ' 32' ' ' ARG . 7.5 ttm105 -165.88 159.54 16.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 m -131.5 123.05 19.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 111.131 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -8.25 23.13 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.702 2.268 . . . . 0.0 112.312 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.77 -46.3 1.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -52.17 -174.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -81.7 40.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.461 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 41.4 mt -137.67 164.83 27.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.461 ' CD2' ' C ' ' A' ' 38' ' ' LEU . 33.4 m-70 -150.19 140.7 22.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -93.8 125.96 38.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.597 ' CG2' ' CZ ' ' A' ' 49' ' ' PHE . 14.1 m -129.98 176.22 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -138.26 142.05 39.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.3 p -86.89 173.91 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.35 -21.21 63.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -91.21 24.88 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.66 63.86 4.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.527 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -134.69 107.92 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -84.42 140.06 31.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.597 ' CZ ' ' CG2' ' A' ' 41' ' ' VAL . 34.0 p90 -163.7 178.84 7.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -113.0 156.13 23.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.1 m -133.18 155.42 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.428 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . 1.3 t -101.11 160.58 14.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.8 tpt -95.96 130.14 32.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.704 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.6 Cg_exo -47.97 139.35 20.23 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.1 p -68.83 -10.16 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.561 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 10.0 pttt -93.48 -26.15 17.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 13.2 m-30 -87.2 29.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -58.4 79.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 57' ' ' TYR . 16.8 pttm -170.85 179.06 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -90.35 86.83 6.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mt -81.44 146.83 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -78.51 104.48 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 64' ' ' LYS . 44.7 mt -124.95 136.47 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' N ' HG22 ' A' ' 63' ' ' ILE . 9.1 mmpt? -130.46 178.59 6.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -80.48 141.01 35.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.55 -26.28 8.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -50.07 126.53 14.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.439 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 50.5 m-85 -88.32 124.57 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 87' ' ' VAL . 14.1 mt -129.52 163.86 25.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 85' ' ' SER . 77.3 mt -104.52 111.83 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.7 m -108.67 154.22 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 27.6 t70 -124.16 135.28 26.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.544 0.688 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 147.24 62.46 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.473 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 8.6 mt -116.68 157.01 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 pm0 -64.46 -177.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -57.79 91.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.16 -119.8 2.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -70.99 -174.83 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.918 0.39 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -83.12 20.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 81' ' ' LYS . 59.1 t -100.27 140.98 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.465 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 10.7 mmpt? -78.5 -58.29 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 72' ' ' ASP . . . -143.91 179.22 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.473 ' HG3' ' CD1' ' A' ' 74' ' ' ILE . 7.0 mt-10 -129.72 140.55 51.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 85' ' ' SER . 48.6 mt -53.12 143.44 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' ILE . 50.2 m -113.46 -46.35 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -156.58 166.07 34.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.41 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 87.8 t -106.99 107.89 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.8 mt -70.25 138.85 51.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 90' ' ' LYS . 91.2 m -109.98 160.72 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 94' ' ' ARG . 33.7 ttpt -36.84 -39.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.44 -62.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -38.63 -63.66 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.461 HG12 ' CZ3' ' A' ' 102' ' ' TRP . 98.2 t -37.21 -56.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.41 ' CD ' ' O ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -54.22 -45.77 72.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.7 m -53.03 -57.3 10.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 71.0 mt -52.2 -38.5 58.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -61.03 -42.5 98.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -71.18 -45.85 62.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.47 -23.1 65.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.68 51.5 2.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -130.58 -40.75 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.518 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 61.2 t-105 -44.41 139.48 3.38 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.551 0.691 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.518 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.9 Cg_endo -69.74 162.86 40.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -85.33 -44.67 12.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -48.36 -26.96 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 109' ' ' VAL . 7.2 m-30 -103.08 -33.12 9.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 t -41.11 -34.34 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -84.49 32.84 0.51 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 106' ' ' PHE . 52.0 t -120.89 -52.23 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.41 89.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -49.62 -46.9 49.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -77.35 -50.71 12.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -48.98 143.52 5.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.436 ' OD1' ' C ' ' A' ' 114' ' ' ASN . 24.6 p30 -154.62 157.76 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.8 m -99.64 127.63 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.66 -158.2 20.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 129.26 17.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.7 m -76.91 110.19 11.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.9 t -53.1 -59.52 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.5 m -65.71 172.08 3.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.0 t -66.88 129.82 41.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.12 -64.69 2.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.3 p -148.38 176.23 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.4 p -137.8 140.3 40.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.66 59.19 2.52 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -154.62 136.6 14.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -107.29 169.26 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.3 mt -43.74 130.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.8 t -139.74 136.46 17.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 111.128 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.96 121.79 6.38 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 m -73.68 176.6 6.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -57.45 -53.07 62.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.431 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 8.5 pt20 -75.08 -37.67 61.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.467 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 11.5 mt-30 -69.42 142.07 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -133.99 157.86 44.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 83.4 mt -96.13 122.49 47.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.421 ' CG2' HG23 ' A' ' 41' ' ' VAL . 17.0 m -127.35 178.72 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.481 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . 26.5 ttp180 -124.34 132.64 53.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -65.08 152.03 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.8 mt -127.55 -60.9 1.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -161.28 130.73 4.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 32.0 m -103.1 121.45 48.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.56 0.695 . . . . 0.0 111.161 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -0.3 6.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.01 -46.01 1.35 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -51.83 -174.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -81.29 40.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.423 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 40.3 mt -137.29 168.06 20.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.562 ' CE1' ' CD1' ' A' ' 63' ' ' ILE . 43.3 m-70 -150.84 134.46 16.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -92.61 113.24 25.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.54 ' CG2' ' CZ ' ' A' ' 49' ' ' PHE . 33.8 m -120.35 173.08 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -137.05 147.54 46.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.9 p -90.08 -179.5 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.58 -23.56 58.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -88.7 24.04 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.87 62.88 5.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -133.99 104.05 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -81.99 144.42 30.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.54 ' CZ ' ' CG2' ' A' ' 41' ' ' VAL . 32.6 p90 -165.5 179.46 6.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -117.84 156.82 27.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.1 m -136.89 158.2 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 t -99.56 162.23 13.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.3 tpt -99.97 130.85 25.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.2 Cg_exo -47.94 158.35 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 t -77.01 -28.1 54.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 18.1 pttt -81.87 -21.85 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.57 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 10.9 m-30 -86.61 32.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -66.32 79.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -175.12 149.49 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -66.9 88.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.3 mt -77.03 150.7 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.493 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 25.9 t90 -78.83 88.77 4.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.562 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 65.0 mt -117.62 110.34 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 28.2 mtmt -114.07 169.99 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -68.3 146.68 53.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.58 -38.02 3.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -56.12 131.54 47.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 29' ' ' ARG . 60.8 m-85 -90.54 139.78 30.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.4 mt -139.87 168.61 19.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' ' 25' ' ' GLN . 96.2 mt -111.54 111.6 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 28.9 m -102.88 157.66 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.424 ' C ' ' HB2' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -119.71 128.63 25.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.431 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 54.3 Cg_endo -69.73 143.75 51.96 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.449 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 9.5 mt -117.1 154.57 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -75.28 178.41 5.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.89 111.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.89 -128.16 0.93 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.77 -174.75 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -83.37 21.29 1.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.418 ' C ' ' HE2' ' A' ' 81' ' ' LYS . 43.1 t -100.24 136.66 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.458 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 9.9 mmpt? -76.04 -56.76 4.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.424 ' HB2' ' C ' ' A' ' 72' ' ' ASP . . . -143.44 -176.82 5.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.064 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.449 ' HG3' ' CD1' ' A' ' 74' ' ' ILE . 16.3 mt-10 -133.24 137.08 45.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 85' ' ' SER . 61.1 mt -52.33 142.78 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.434 ' N ' HG22 ' A' ' 84' ' ' ILE . 67.5 m -116.37 -45.52 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -154.74 168.71 25.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.3 t -110.67 123.36 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.147 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.87 159.72 18.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 15.4 m -134.43 176.6 8.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 mtmm -51.66 -42.13 61.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 94' ' ' ARG . 55.8 m-20 -70.28 -61.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.2 t-160 -37.45 -54.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.494 HG23 ' CH2' ' A' ' 102' ' ' TRP . 77.6 t -47.12 -41.28 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 91' ' ' ASP . 33.8 mmm-85 -54.0 -56.22 19.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.6 m -51.33 -67.66 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.7 mt -45.32 -44.13 11.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -60.06 -32.64 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -77.29 -39.34 48.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.72 -24.95 65.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.5 31.67 7.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -107.74 -41.75 4.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.52 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 61.3 t-105 -45.21 139.46 4.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.538 0.685 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.551 ' HG2' ' CD2' ' A' ' 106' ' ' PHE . 53.7 Cg_endo -69.79 155.61 65.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 106' ' ' PHE . 35.5 tt0 -73.45 -57.9 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.76 -28.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.551 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 3.4 m-30 -101.51 -30.56 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 104' ' ' GLU . 7.2 t -48.65 -28.14 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.809 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -90.24 28.35 1.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 50.5 t -121.82 -42.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -77.16 -60.81 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 110' ' ' ALA . 13.7 tt0 -34.56 -49.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -53.9 -57.45 10.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -39.86 144.13 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.82 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -102.23 -42.83 5.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.2 m -46.08 140.38 3.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -148.49 -78.48 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -6.03 17.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.6 p -137.22 171.31 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 t -82.85 -53.11 6.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -167.95 147.02 4.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.827 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -111.79 93.57 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.7 57.19 0.2 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -79.99 154.91 27.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -59.96 114.28 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.42 -68.05 1.48 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -126.62 158.68 35.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.413 ' CG ' ' H ' ' A' ' 19' ' ' ILE . 46.7 t-80 -174.94 171.35 3.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.413 ' H ' ' CG ' ' A' ' 18' ' ' HIS . 68.7 mt -41.64 127.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.3 t -138.3 135.93 18.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.152 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.423 ' CD ' HD21 ' A' ' 96' ' ' LEU . 64.9 Cg_exo -47.93 132.81 22.59 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.716 2.277 . . . . 0.0 112.356 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.438 ' CB ' ' OE1' ' A' ' 25' ' ' GLN . 14.2 t -79.28 174.63 11.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -59.6 -45.59 91.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -77.04 -44.49 30.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.438 ' OE1' ' CB ' ' A' ' 22' ' ' SER . 15.1 mt-30 -57.21 169.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -161.28 148.44 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.6 mt -90.22 131.17 38.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.8 m -136.32 176.76 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -124.0 130.98 53.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -66.92 146.62 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.5 mt -117.94 -49.92 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -167.21 156.98 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 m -127.4 119.17 21.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 0.0 111.165 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.37 5.76 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.47 -49.36 0.9 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -53.49 -174.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -81.18 40.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 49.8 mt -132.99 163.56 28.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.569 ' CE1' HD12 ' A' ' 63' ' ' ILE . 42.4 m-70 -151.81 122.91 7.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -79.84 104.76 10.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.526 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 18.1 m -109.71 172.92 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -135.35 149.63 49.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.5 p -92.27 -178.25 4.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.59 -27.21 60.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -87.98 26.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.9 67.86 1.99 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -136.3 110.53 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.914 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -83.61 141.07 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.526 ' CZ ' HG22 ' A' ' 41' ' ' VAL . 24.7 p90 -164.51 167.95 18.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -105.86 148.85 27.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.5 m -130.02 155.81 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -101.07 159.9 14.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.437 ' CE ' HD13 ' A' ' 61' ' ' ILE . 5.6 tpt -97.5 129.26 32.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.575 0.702 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.569 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.2 Cg_exo -47.96 160.09 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 m -74.04 -47.58 35.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.533 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 2.0 pttm -60.64 -26.02 66.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 13.0 m-30 -87.98 32.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 10.2 ttp-105 -66.59 77.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' NZ ' ' HB3' ' A' ' 59' ' ' LYS . 6.2 mtpm? -162.46 -177.78 5.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -100.07 78.01 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.437 HD13 ' CE ' ' A' ' 53' ' ' MET . 21.9 mt -69.54 139.13 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.412 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 23.4 t90 -76.02 86.99 2.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 39' ' ' HIS . 51.4 mt -110.51 111.82 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.095 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 5.2 mtmp? -112.07 178.55 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.424 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 1.9 tmt_? -71.36 138.0 48.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.09 -28.04 17.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.456 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -61.39 122.99 16.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -88.71 132.88 34.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 mt -137.58 159.36 42.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 85' ' ' SER . 81.4 mt -100.56 115.44 41.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.4 m -111.67 157.59 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.419 ' C ' ' HB2' ' A' ' 82' ' ' ALA . 23.5 t0 -127.43 134.24 25.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.658 0.742 . . . . 0.0 110.861 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 150.73 68.64 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.416 HD12 ' CD ' ' A' ' 83' ' ' GLU . 9.8 mt -119.76 155.8 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -74.97 -177.97 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -39.02 116.0 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.54 -139.93 2.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.08 -174.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -83.91 23.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.9 t -99.92 140.83 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.453 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 6.0 mmpt? -83.06 -54.62 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.419 ' HB2' ' C ' ' A' ' 72' ' ' ASP . . . -145.22 -177.7 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.416 ' CD ' HD12 ' A' ' 74' ' ' ILE . 52.3 mt-10 -138.92 141.28 38.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.41 ' CD1' ' SD ' ' A' ' 53' ' ' MET . 40.2 mt -51.95 153.48 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 70' ' ' ILE . 68.5 m -125.15 -43.27 1.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -157.07 154.89 30.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.0 t -97.47 103.92 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.6 140.38 56.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 90' ' ' LYS . 27.4 p -120.74 168.12 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 89' ' ' CYS . 42.5 mtmt -36.61 -65.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 92' ' ' HIS . 1.2 m-20 -50.05 -63.11 1.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 93' ' ' VAL . 2.3 t-160 -36.76 -66.14 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' HIS . 88.5 t -34.61 -60.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.99 -46.13 16.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.3 m -54.1 -65.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.423 HD21 ' CD ' ' A' ' 21' ' ' PRO . 65.2 mt -46.99 -40.99 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -59.88 -47.07 87.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -66.03 -42.4 89.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.5 -25.11 67.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.58 42.53 4.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -122.25 -39.92 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.524 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 56.7 t-105 -43.29 139.26 2.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.563 0.697 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.9 Cg_endo -69.75 170.37 16.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.49 -37.3 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.28 -40.37 74.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -100.01 26.31 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -101.01 -40.76 7.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -84.7 26.66 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.5 m -116.63 -27.98 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.173 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -95.52 41.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -97.92 -66.42 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.85 46.15 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -88.47 -41.11 12.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -153.48 159.55 42.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.2 t -40.68 139.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.85 86.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 131.94 22.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.728 2.285 . . . . 0.0 112.314 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.4 t -104.85 166.11 10.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 t -81.37 158.31 24.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.2 p -174.32 130.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 p -112.87 166.43 11.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.86 -86.69 0.69 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -111.19 103.1 11.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.372 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -170.15 168.35 8.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.43 44.69 0.55 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -83.56 70.09 10.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.405 ' CG ' ' H ' ' A' ' 19' ' ' ILE . 43.1 t-80 -158.58 171.76 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.405 ' H ' ' CG ' ' A' ' 18' ' ' HIS . 86.8 mt -49.74 123.3 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t -130.27 130.41 23.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.737 . . . . 0.0 111.152 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.99 119.77 4.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.233 . . . . 0.0 112.397 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -66.04 178.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.797 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -62.33 -47.49 84.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -78.89 -31.21 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -68.54 146.54 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -139.44 154.44 47.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.6 mt -92.64 127.73 44.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.6 m -133.15 177.89 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.427 ' NH2' ' NH2' ' A' ' 65' ' ' ARG . 28.3 ttt180 -124.21 137.79 54.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 t -75.11 152.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 mt -125.75 -55.28 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.9 mtm-85 -154.93 177.96 10.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.566 HG22 ' CE1' ' A' ' 39' ' ' HIS . 4.0 m -149.98 118.38 3.68 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.578 0.704 . . . . 0.0 111.128 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -7.89 22.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.37 -39.73 2.8 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -60.49 -174.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -80.89 40.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 46.2 mt -136.12 161.82 34.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.566 ' CE1' HG22 ' A' ' 33' ' ' THR . 38.7 m-70 -149.99 129.76 13.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.445 ' OE2' ' C ' ' A' ' 49' ' ' PHE . 3.3 tp10 -85.07 115.69 23.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.407 HG21 ' CZ ' ' A' ' 49' ' ' PHE . 21.2 m -120.98 172.55 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.15 151.96 51.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.2 p -98.55 173.04 7.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.124 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.83 -26.04 68.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -90.89 24.57 2.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.63 44.48 96.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -110.4 103.3 11.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -85.27 144.13 28.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.445 ' C ' ' OE2' ' A' ' 40' ' ' GLU . 12.9 p90 -166.62 -176.51 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.4 mt -114.35 152.46 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.4 m -132.29 144.1 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -93.98 158.57 15.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.402 ' SD ' ' CD1' ' A' ' 84' ' ' ILE . 5.8 tpt -95.96 132.42 27.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.573 0.702 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.4 Cg_exo -47.95 167.56 0.1 OUTLIER 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.8 p -83.78 -34.35 24.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.551 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.1 pttm -76.07 -16.5 59.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.559 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 11.8 m-30 -94.19 23.76 4.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.34 79.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 57' ' ' TYR . 15.9 tptt -175.07 134.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -56.13 92.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.5 mt -81.55 146.38 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -75.46 102.2 5.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.518 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 39.3 mt -122.62 138.09 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' N ' HG21 ' A' ' 63' ' ' ILE . 9.2 mmpt? -132.74 164.44 26.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.427 ' NH2' ' NH2' ' A' ' 29' ' ' ARG . 1.9 tmt_? -66.75 151.81 46.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.53 -31.73 3.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -55.81 125.72 22.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' A' ' 106' ' ' PHE . 66.6 m-85 -88.66 123.48 33.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.8 mt -129.0 160.34 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.5 mt -99.19 122.77 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.0 m -115.68 152.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -119.74 129.16 25.5 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.645 0.736 . . . . 0.0 110.824 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.15 67.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.706 2.271 . . . . 0.0 112.301 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.44 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 7.8 mt -121.7 152.58 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.16 -178.55 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -40.24 118.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -169.07 -135.25 1.86 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -62.83 -174.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -83.11 22.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.02 145.37 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -88.24 -54.51 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -143.8 179.03 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.067 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.44 ' HG3' ' CD1' ' A' ' 74' ' ' ILE . 50.9 mt-10 -134.18 137.39 44.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.463 HG21 ' N ' ' A' ' 85' ' ' SER . 50.6 mt -51.12 139.7 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.463 ' N ' HG21 ' A' ' 84' ' ' ILE . 37.2 m -114.09 -42.1 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.456 ' CG ' ' O ' ' A' ' 85' ' ' SER . 91.3 m-85 -160.16 161.23 33.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.8 t -103.31 118.44 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.403 HD22 ' ND1' ' A' ' 92' ' ' HIS . 23.2 mt -76.57 144.07 39.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 90' ' ' LYS . 5.5 t -118.43 160.25 22.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 89' ' ' CYS . 0.1 OUTLIER -35.17 -46.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 94' ' ' ARG . 1.1 t0 -68.55 -57.64 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.3 t-160 -37.43 -55.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.48 HG21 ' CH2' ' A' ' 102' ' ' TRP . 77.2 t -49.74 -40.27 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 91' ' ' ASP . 20.6 mmt180 -53.97 -50.13 67.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 98' ' ' LYS . 51.0 m -59.29 -68.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 78.8 mt -38.28 -39.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -64.83 -43.17 93.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 95' ' ' SER . 2.0 mtpm? -72.41 -38.25 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.8 -25.42 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.75 37.09 6.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.497 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -115.98 -35.86 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.524 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 59.3 t-105 -49.56 139.35 15.38 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.524 0.678 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.4 Cg_endo -69.84 -165.09 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -113.75 -42.54 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.13 -26.59 60.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.545 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 6.1 m-85 -106.49 15.88 25.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -98.99 -30.21 12.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -90.48 15.02 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.3 m -111.38 -5.01 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.52 43.98 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -80.52 -64.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -99.38 44.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -95.95 104.6 16.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 38.3 t30 64.65 43.37 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.5 t -101.19 140.67 35.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -176.32 -178.22 45.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 120.97 7.67 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.2 m -132.78 165.15 25.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 85.1 p -48.95 173.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.7 p -127.02 160.14 32.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 t -124.26 147.41 48.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.95 88.15 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.3 p -77.35 100.92 6.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.829 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.9 p 37.79 42.46 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -127.31 50.22 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -101.17 83.89 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.405 ' CG ' ' H ' ' A' ' 19' ' ' ILE . 42.4 t-80 -116.72 172.06 7.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.503 ' HB ' ' CE1' ' A' ' 92' ' ' HIS . 90.9 mt -49.04 133.31 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.9 t -140.45 131.91 14.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.97 123.75 9.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.9 p -63.31 -177.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -61.41 -51.19 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -73.69 -40.56 63.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -55.65 166.36 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -159.72 146.84 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 91.4 mt -88.75 129.77 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.458 HG21 ' CG2' ' A' ' 41' ' ' VAL . 19.6 m -136.93 166.45 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.538 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . 17.6 ttp180 -111.82 140.22 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 64.9 t -73.38 149.11 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.5 mt -124.02 -60.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -142.92 170.18 16.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.7 m -145.47 111.01 4.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 111.138 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 3.13 2.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.299 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.87 -45.61 1.96 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -54.34 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -81.21 40.8 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.411 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 53.4 mt -132.08 163.51 28.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.411 ' CD2' ' O ' ' A' ' 38' ' ' LEU . 54.6 m-70 -151.92 125.28 8.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -84.58 108.89 17.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.458 ' CG2' HG21 ' A' ' 28' ' ' VAL . 28.8 m -118.77 171.22 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -135.58 152.02 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.6 p -92.82 -178.12 4.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.421 ' CB ' ' HB3' ' A' ' 105' ' ' ALA . . . -75.22 -24.26 57.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -87.67 23.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.7 67.51 2.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -139.09 106.18 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -83.74 148.64 26.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -172.08 175.03 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -109.69 152.33 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.8 m -135.35 152.72 32.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -99.84 165.04 11.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.434 ' SD ' ' CD1' ' A' ' 84' ' ' ILE . 5.9 tpt -96.71 133.2 24.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.537 0.684 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.557 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 Cg_exo -47.97 164.69 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.644 2.23 . . . . 0.0 112.361 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.7 m -79.06 -37.09 39.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 12.6 pttt -67.26 -34.73 78.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 14.7 m-30 -83.79 37.87 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.9 ttt-85 -64.97 80.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -174.18 177.14 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.59 79.92 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 62' ' ' TRP . 21.9 mt -66.7 142.8 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.454 ' N ' HG23 ' A' ' 61' ' ' ILE . 13.0 t-105 -74.72 101.77 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.22 130.48 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' HD2' ' CZ2' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -117.87 177.01 4.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.471 ' HD3' ' N ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -71.87 147.27 47.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.471 ' N ' ' HD3' ' A' ' 65' ' ' ARG . . . 87.05 -40.82 3.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.29 124.01 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.862 0.363 . . . . 0.0 110.83 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.538 ' CD1' ' HB2' ' A' ' 29' ' ' ARG . 54.3 m-85 -88.28 132.14 34.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 mt -131.49 164.96 24.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 85' ' ' SER . 92.8 mt -104.01 115.09 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.5 m -107.75 154.1 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -123.33 130.52 24.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.709 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 142.35 47.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.295 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 7.8 mt -117.5 145.87 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -61.66 -177.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -44.23 117.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.33 -143.47 3.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -52.61 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -83.07 21.49 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.6 t -100.17 138.42 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.465 ' HE3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -82.58 -49.69 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -149.78 -177.2 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.11 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -141.1 140.33 34.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.434 ' CD1' ' SD ' ' A' ' 53' ' ' MET . 43.1 mt -49.78 159.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 70' ' ' ILE . 55.9 m -131.52 -42.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -155.44 154.99 32.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.9 t -95.14 107.86 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 39.3 mt -69.68 145.45 52.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' LYS . 2.5 t -126.03 161.75 26.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 89' ' ' CYS . 29.2 mmtm -35.98 -53.23 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -61.31 -56.05 24.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.503 ' CE1' ' HB ' ' A' ' 19' ' ' ILE . 2.9 t-160 -38.45 -57.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.522 HG21 ' CH2' ' A' ' 102' ' ' TRP . 98.3 t -49.72 -42.93 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -51.63 -44.67 63.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -65.1 -62.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.6 mt -44.0 -43.49 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -63.69 -42.15 98.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -63.73 -50.34 69.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.76 -28.77 68.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.65 38.81 4.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -113.57 -37.74 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.522 ' CH2' HG21 ' A' ' 93' ' ' VAL . 64.6 t-105 -47.05 138.79 7.36 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.519 0.675 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.512 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 54.1 Cg_endo -69.75 168.32 21.88 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -95.55 -34.88 11.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.421 ' HB3' ' CB ' ' A' ' 44' ' ' ALA . . . -62.26 -7.88 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.428 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 11.8 m-85 -127.75 17.26 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 m -94.02 -34.75 12.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -84.65 33.53 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.8 m -130.65 -33.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.76 -52.35 49.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.7 -29.31 58.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -98.26 49.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -129.14 108.32 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -157.81 110.18 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.2 m -110.7 141.32 44.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 69.88 146.24 0.27 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.7 Cg_endo -69.78 1.85 4.08 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 117' ' ' PRO . 26.5 t -34.79 129.19 0.44 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 81.5 p -121.26 134.6 55.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.515 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -125.84 144.04 50.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.3 p -107.83 116.54 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.56 -110.84 0.25 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.4 t -123.85 -51.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.828 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.6 m 65.17 42.38 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.3 63.95 4.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -141.9 146.38 35.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -115.94 169.17 9.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 20' ' ' VAL . 88.2 mt -41.31 142.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.409 ' N ' HG22 ' A' ' 19' ' ' ILE . 54.1 t -140.47 126.95 11.93 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.643 0.735 . . . . 0.0 111.133 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.96 119.26 3.72 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -61.42 158.85 13.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -45.96 -51.05 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -73.61 -40.92 63.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.46 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 7.4 mt-30 -55.64 150.35 12.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -141.02 143.18 34.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.8 mt -89.13 120.79 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.431 ' CG2' HG23 ' A' ' 41' ' ' VAL . 26.9 m -127.41 175.25 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.439 ' CD ' ' HA2' ' A' ' 66' ' ' GLY . 8.2 ttt-85 -118.89 140.83 49.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 31' ' ' LEU . 84.9 t -73.74 153.41 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' N ' HG13 ' A' ' 30' ' ' VAL . 24.8 mt -130.46 -57.76 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' ' 32' ' ' ARG . 23.8 mtm105 -155.79 168.22 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 m -144.1 123.45 7.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.557 0.694 . . . . 0.0 111.178 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -6.26 18.18 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.367 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.29 -38.12 3.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -58.38 -174.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -81.14 40.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.556 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 21.4 mt -138.2 171.29 14.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.556 ' CD2' ' C ' ' A' ' 38' ' ' LEU . 32.4 m-70 -154.85 141.87 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -98.27 116.27 30.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.588 ' CG2' ' CZ ' ' A' ' 49' ' ' PHE . 31.3 m -122.69 177.26 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.408 ' OE2' ' NH1' ' A' ' 29' ' ' ARG . 7.3 pt-20 -139.15 148.67 43.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 p -93.35 178.39 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.11 -20.76 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -90.06 24.14 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.83 58.84 12.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -131.28 107.97 9.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -85.24 137.87 32.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.588 ' CZ ' ' CG2' ' A' ' 41' ' ' VAL . 19.6 p90 -155.41 179.15 9.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -112.01 154.98 24.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.443 ' CG2' ' HB2' ' A' ' 39' ' ' HIS . 32.2 m -130.42 164.64 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -119.15 160.65 21.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.402 ' CE ' HD13 ' A' ' 84' ' ' ILE . 4.2 tpt -96.09 125.18 49.21 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.553 0.692 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.4 Cg_exo -48.01 133.03 23.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -59.62 -11.35 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.533 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 9.8 pttt -95.32 -16.42 22.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 12.6 m-30 -99.24 45.22 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -68.21 85.98 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -174.88 170.54 3.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -89.25 82.75 6.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 62' ' ' TRP . 7.2 mt -74.43 147.67 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.407 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 18.7 t90 -74.75 99.45 3.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.452 HD12 ' CE1' ' A' ' 39' ' ' HIS . 50.5 mt -124.51 106.3 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.407 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 6.2 mtmp? -113.08 174.7 5.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 66' ' ' GLY . 44.8 ttt180 -68.65 149.69 48.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.439 ' HA2' ' CD ' ' A' ' 29' ' ' ARG . . . 81.61 -41.32 2.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.84 124.52 3.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -88.91 138.42 31.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.0 mt -142.47 170.48 15.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 25' ' ' GLN . 72.8 mt -111.26 113.85 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.2 m -109.07 154.68 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -123.62 133.31 24.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.851 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 151.1 69.02 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.372 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.422 HD12 ' CD ' ' A' ' 83' ' ' GLU . 8.7 mt -123.07 152.59 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.91 -178.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -38.12 122.85 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.29 -143.71 4.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.567 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.92 -174.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.384 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -83.09 21.54 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.9 t -100.21 136.13 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -80.08 -59.47 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -138.37 176.26 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.06 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.422 ' CD ' HD12 ' A' ' 74' ' ' ILE . 18.8 mt-10 -132.47 147.24 52.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.452 HG21 ' N ' ' A' ' 85' ' ' SER . 53.1 mt -53.46 138.42 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.452 ' N ' HG21 ' A' ' 84' ' ' ILE . 41.9 m -113.73 -46.04 3.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -156.48 151.57 26.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 56.2 t -94.89 109.89 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.492 ' CD2' ' CE1' ' A' ' 92' ' ' HIS . 60.7 mt -67.85 138.86 56.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 90' ' ' LYS . 25.6 m -108.12 153.56 22.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 89' ' ' CYS . 29.2 mttt -34.66 -54.19 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -61.43 -44.9 96.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.492 ' CE1' ' CD2' ' A' ' 88' ' ' LEU . 6.1 t-160 -49.75 -54.74 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 69.7 t -44.67 -63.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -45.69 -48.65 15.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t -52.69 -61.69 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 37.1 mt -44.89 -41.35 7.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -62.16 -50.97 69.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -57.15 -49.74 75.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.86 -27.51 68.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.13 49.02 2.13 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -127.72 -39.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.522 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 59.8 t-105 -48.82 139.3 11.92 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.58 0.705 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.5 Cg_endo -69.77 174.43 9.53 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -95.84 -37.77 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.01 -31.97 65.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -105.22 18.86 21.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 t -97.59 -30.51 12.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -91.66 28.2 1.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.5 m -120.08 -35.41 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.23 -51.79 22.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -43.89 -48.58 8.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -129.72 87.04 2.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -100.69 -51.86 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -152.66 173.47 15.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.9 t -132.07 108.84 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.83 -94.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -50.67 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.26 . . . . 0.0 112.352 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 73.9 m -77.12 92.99 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.1 t -168.75 136.64 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.2 t -80.93 87.64 5.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 110.846 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 p -83.53 147.02 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.02 -124.89 2.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 m -53.55 153.9 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.817 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.2 t -75.92 150.86 37.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -74.02 -126.75 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' GLY . 2.2 tp10 -37.73 110.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -72.51 171.15 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.407 HG21 ' N ' ' A' ' 20' ' ' VAL . 77.0 mt -50.08 133.91 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.407 ' N ' HG21 ' A' ' 19' ' ' ILE . 83.9 t -142.79 134.04 12.81 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.633 0.73 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -48.01 119.44 3.91 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.5 m -55.93 177.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -57.85 -46.46 84.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -83.54 -39.13 20.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -53.47 149.05 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -142.65 147.7 36.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.5 mt -87.25 131.44 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.0 m -137.67 172.56 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -118.48 134.44 55.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 31' ' ' LEU . 60.8 t -68.83 144.12 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.405 ' N ' HG12 ' A' ' 30' ' ' VAL . 19.5 mt -118.33 -47.98 2.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -165.08 172.48 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.468 HG21 ' CE1' ' A' ' 39' ' ' HIS . 6.0 m -148.04 119.63 4.47 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.54 0.686 . . . . 0.0 111.144 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -0.65 7.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.654 2.236 . . . . 0.0 112.333 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.22 -43.39 1.68 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.443 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -53.91 -174.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -81.2 40.72 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 30.5 mt -139.13 169.47 17.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.565 ' CD2' ' O ' ' A' ' 38' ' ' LEU . 35.7 m-70 -153.41 142.31 21.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -97.23 109.04 21.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.5 m -115.73 174.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -135.55 152.15 51.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 p -95.06 171.84 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.29 -26.8 68.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -89.13 25.99 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.24 70.12 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -139.31 105.43 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -80.31 145.07 32.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 24.3 p90 -167.6 171.02 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -107.39 151.28 25.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 24.8 m -133.05 153.61 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.7 t -97.74 168.35 10.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.3 tpt -104.27 131.83 21.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.8 Cg_exo -47.99 174.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.6 p -93.4 -23.23 18.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.559 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 47.1 pttt -87.08 -12.2 47.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.94 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 12.7 m-30 -98.96 31.06 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -60.43 79.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' TYR . 16.1 tttp -175.12 155.61 1.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -75.1 83.19 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 62' ' ' TRP . 23.1 mt -71.17 145.22 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.45 ' N ' HG22 ' A' ' 61' ' ' ILE . 25.0 t90 -76.15 87.28 3.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.2 mt -114.34 110.29 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 6.9 mtmp? -115.65 178.63 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -71.67 148.15 46.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.82 -22.02 27.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -72.63 125.67 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.487 ' CE1' ' HB3' ' A' ' 106' ' ' PHE . 11.1 m-85 -88.15 132.22 34.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.2 mt -133.41 163.9 28.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 85' ' ' SER . 93.3 mt -107.16 106.06 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 19.1 m -94.86 162.12 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.415 ' C ' ' HB3' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -126.62 121.93 23.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 137.9 36.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.418 HD13 ' CD ' ' A' ' 83' ' ' GLU . 7.0 mt -117.25 144.66 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.171 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -61.13 -177.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -42.64 120.88 1.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.89 -131.98 1.38 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -62.99 -175.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 17.9 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.429 HG13 ' N ' ' A' ' 81' ' ' LYS . 88.5 t -100.27 143.53 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.456 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 7.8 mmpt? -83.65 -52.79 6.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.415 ' HB3' ' C ' ' A' ' 72' ' ' ASP . . . -147.53 -178.92 6.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.418 ' CD ' HD13 ' A' ' 74' ' ' ILE . 22.4 mt-10 -133.52 139.73 46.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.6 mt -54.28 144.08 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.498 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 67.2 m -114.4 -39.6 3.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.498 ' CG ' ' O ' ' A' ' 85' ' ' SER . 95.3 m-85 -162.16 163.11 28.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.9 t -105.69 102.22 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.8 mt -66.01 149.32 50.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 94.4 m -120.92 -177.22 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -53.6 -54.99 29.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' ARG . 1.3 t0 -60.42 -60.13 4.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t-160 -34.92 -58.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.803 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.555 HG21 ' CH2' ' A' ' 102' ' ' TRP . 93.7 t -49.09 -40.3 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 91' ' ' ASP . 17.1 mmt85 -56.52 -43.39 79.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 m -62.31 -70.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 41.2 mt -39.74 -37.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -64.04 -45.7 87.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -71.59 -37.0 71.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.77 -29.19 70.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.29 44.77 2.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -126.72 -42.31 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.555 ' CH2' HG21 ' A' ' 93' ' ' VAL . 54.1 t-105 -42.56 139.22 2.01 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.77 174.29 9.74 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -97.37 -29.02 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.27 98.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.487 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 7.0 m-85 -100.48 22.84 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -97.06 -37.75 10.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.09 34.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.8 m -129.08 -37.8 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.76 39.32 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -83.76 -68.36 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.92 92.11 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -133.35 80.84 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -73.16 156.94 38.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.1 t -64.03 149.32 47.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.96 -158.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -16.7 37.59 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.5 m -145.53 143.73 30.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.9 t -134.46 151.6 51.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.511 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.6 p -62.54 98.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.828 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.0 t -76.36 108.84 9.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.46 157.03 21.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.527 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.5 m -61.55 143.8 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.4 t -74.18 -52.87 11.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.77 139.93 11.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -101.32 -53.6 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -106.08 168.43 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 61.5 mt -51.73 108.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.1 t -125.72 138.34 31.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.614 0.721 . . . . 0.0 111.163 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HG2' ' CD1' ' A' ' 27' ' ' ILE . 65.7 Cg_exo -47.97 129.79 18.71 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -84.08 176.39 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.28 -54.44 46.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -42.09 88.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.456 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 56.4 mt-30 -66.12 171.23 4.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -159.99 147.62 16.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.438 ' CD1' ' HG2' ' A' ' 21' ' ' PRO . 59.4 mt -90.14 119.8 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.45 ' CG2' HG23 ' A' ' 41' ' ' VAL . 17.5 m -127.27 165.54 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.8 ttt-85 -114.1 132.17 56.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' A' ' 31' ' ' LEU . 72.7 t -64.54 156.78 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.425 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 21.0 mt -129.56 -46.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 33' ' ' THR . 9.0 ttm105 -171.99 152.96 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.419 ' N ' ' HG2' ' A' ' 32' ' ' ARG . 28.3 m -125.63 121.93 24.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.603 0.716 . . . . 0.0 111.154 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -14.24 36.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.377 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.08 -49.66 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -51.82 -174.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -81.24 40.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.423 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 38.1 mt -133.67 165.8 24.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.571 ' CE1' ' CD1' ' A' ' 63' ' ' ILE . 49.5 m-70 -151.63 138.34 18.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -97.15 113.33 24.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.45 HG23 ' CG2' ' A' ' 28' ' ' VAL . 18.5 m -120.29 179.42 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -138.88 144.11 39.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.5 p -85.52 173.7 10.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.38 -24.17 63.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -89.87 24.86 2.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.14 64.0 4.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -135.66 105.19 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.401 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 71.3 mtt180 -83.93 143.04 30.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -167.0 179.33 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -111.31 162.07 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.6 m -144.22 155.18 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -101.26 163.86 12.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.5 tpt -96.67 132.76 25.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.549 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.5 Cg_exo -47.94 161.38 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.67 2.246 . . . . 0.0 112.321 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 m -79.11 -27.98 42.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 10.4 pttm -81.71 -21.29 38.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.549 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 11.3 m-30 -88.25 25.52 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.1 mtp-105 -59.5 79.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' TYR . 10.1 tptm -175.04 140.89 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.03 90.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.1 mt -82.46 146.13 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -77.03 103.25 6.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.571 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 42.1 mt -122.51 138.1 53.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' N ' HG21 ' A' ' 63' ' ' ILE . 9.4 mmpt? -134.68 170.01 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -73.71 145.4 45.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.85 -6.8 83.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -81.65 130.27 34.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -88.29 134.63 33.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 mt -139.94 167.76 21.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 85' ' ' SER . 88.5 mt -108.76 118.05 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.6 m -114.5 155.15 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 73' ' ' PRO . 4.3 t0 -125.16 131.76 24.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.588 0.709 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.401 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 53.7 Cg_endo -69.77 146.39 60.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.68 2.253 . . . . 0.0 112.386 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.0 mt -117.38 158.36 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -74.66 177.79 5.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -38.48 114.9 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.72 -133.08 1.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -174.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.38 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -82.92 21.11 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.8 t -100.2 137.24 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -80.21 -53.1 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.27 177.02 9.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -129.26 140.78 51.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 88.3 mt -50.58 153.79 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 70' ' ' ILE . 14.9 m -124.14 -44.37 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -157.95 166.58 32.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.4 t -107.56 101.44 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.409 HD21 ' ND1' ' A' ' 92' ' ' HIS . 23.1 mt -66.46 146.1 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 3.3 t -113.54 172.84 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -50.37 -49.49 54.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -64.73 -51.59 61.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.409 ' ND1' HD21 ' A' ' 88' ' ' LEU . 3.3 t-160 -43.3 -56.53 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.477 HG23 ' CH2' ' A' ' 102' ' ' TRP . 84.4 t -48.89 -29.35 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -69.98 -49.46 51.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -54.87 -66.3 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 65.0 mt -41.03 -41.17 1.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -60.49 -42.57 96.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -74.1 -40.85 62.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.407 ' HB3' ' CE2' ' A' ' 101' ' ' PHE . 34.9 mt-10 -62.92 -25.76 68.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.19 39.0 4.94 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.495 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.407 ' CE2' ' HB3' ' A' ' 99' ' ' GLU . 57.9 m-85 -116.67 -38.24 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.517 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 40.9 t-105 -49.76 139.21 16.62 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.554 0.692 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.7 Cg_endo -69.75 176.74 6.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.246 . . . . 0.0 112.321 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -100.56 -9.07 22.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.04 -8.94 54.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.423 ' HA ' ' CG2' ' A' ' 109' ' ' VAL . 16.1 m-85 -128.21 -10.26 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.6 p -46.12 -51.63 13.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.44 29.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 106' ' ' PHE . 78.1 t -116.6 -22.72 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.3 -57.92 2.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -43.31 -60.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -74.28 -58.05 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 46.85 40.99 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -123.53 144.15 49.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.8 m -147.45 142.97 27.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 120.23 146.24 7.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 95.8 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.605 2.203 . . . . 0.0 112.352 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 96.1 p -169.27 172.69 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.1 m -49.83 -56.36 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.1 m -76.97 147.06 37.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.822 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.8 t -124.72 117.58 24.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 153.56 126.15 1.09 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.0 m -127.13 120.84 29.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.1 m -61.59 147.99 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.14 -86.21 0.45 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -101.93 50.39 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -83.72 163.58 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.6 mt -38.95 119.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.4 t -131.75 129.63 22.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.0 125.22 11.27 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.9 p -68.04 173.27 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -56.28 -45.77 80.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.47 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 42.6 mt-30 -78.45 -36.46 45.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -67.97 150.94 47.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -146.47 151.3 37.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.8 mt -87.48 127.87 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.7 m -133.83 164.5 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -111.24 132.29 54.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 31' ' ' LEU . 57.0 t -68.5 138.57 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.434 ' N ' HG13 ' A' ' 30' ' ' VAL . 24.2 mt -112.74 -58.53 2.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -148.24 -178.57 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.4 HG21 ' ND1' ' A' ' 39' ' ' HIS . 2.8 m -156.02 118.35 2.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 111.147 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -3.55 12.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.226 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.18 -44.36 1.49 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -52.97 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -81.1 40.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.502 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 18.9 mt -135.89 171.43 14.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.502 ' CD2' ' C ' ' A' ' 38' ' ' LEU . 46.1 m-70 -155.2 138.83 16.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.47 112.34 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.461 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 27.3 m -117.49 179.88 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -138.61 143.99 39.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.0 p -90.02 166.15 13.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.41 -27.75 62.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -87.22 28.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.14 51.47 46.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -117.68 102.46 9.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -79.72 142.55 35.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.461 ' CZ ' HG22 ' A' ' 41' ' ' VAL . 10.4 p90 -168.12 178.76 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -112.9 159.98 18.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.4 m -140.68 151.76 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.9 t -97.11 161.67 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.427 ' SD ' ' CD1' ' A' ' 84' ' ' ILE . 6.5 tpt -99.41 132.5 23.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.557 0.694 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.3 Cg_exo -47.98 163.92 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.299 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.2 m -80.37 -37.27 32.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.475 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 37.6 pttt -72.92 -14.99 61.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 59' ' ' LYS . 10.3 m-30 -95.37 24.68 4.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -58.52 80.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 57' ' ' TYR . 27.0 mtmt -168.25 172.33 8.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -91.95 81.61 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.425 HD13 ' CE ' ' A' ' 53' ' ' MET . 13.2 mt -72.87 140.48 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -74.96 106.27 6.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 64' ' ' LYS . 71.2 mt -126.17 135.13 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.444 ' N ' HG23 ' A' ' 63' ' ' ILE . 9.2 mmpt? -129.28 175.29 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -76.67 126.92 31.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.68 -22.34 24.15 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -64.35 128.49 36.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -90.29 130.07 36.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.8 mt -133.39 165.12 25.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 85' ' ' SER . 89.5 mt -107.56 105.07 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 32.8 m -93.7 157.91 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.09 122.1 26.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.89 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.47 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 54.0 Cg_endo -69.69 143.2 50.43 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.423 HD12 ' CD ' ' A' ' 83' ' ' GLU . 7.6 mt -119.53 154.55 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' GLU . 5.4 pt-20 -72.13 -177.43 2.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 75' ' ' GLU . 58.1 mm-40 -37.45 122.88 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.05 -130.45 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -68.72 -174.9 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.439 ' HE3' ' N ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -82.95 20.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.4 t -100.18 135.16 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -77.8 -51.85 9.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -146.48 177.47 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.423 ' CD ' HD12 ' A' ' 74' ' ' ILE . 23.8 mt-10 -129.65 140.25 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.427 ' CD1' ' SD ' ' A' ' 53' ' ' MET . 76.6 mt -54.71 139.36 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' ILE . 19.5 m -108.57 -48.09 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -154.36 169.6 23.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.6 t -107.84 104.35 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.17 150.02 49.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 90' ' ' LYS . 28.6 m -130.5 164.23 25.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 89' ' ' CYS . 23.6 mmmt -38.07 -41.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' HIS . 14.3 m-20 -68.78 -64.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.0 t-160 -35.63 -58.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' HIS . 91.9 t -36.24 -58.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.6 -55.18 5.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.7 m -46.13 -54.54 8.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.9 mt -63.26 -37.71 88.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -62.01 -40.28 95.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -72.29 -47.64 48.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.0 -21.4 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 88.44 33.71 10.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -106.63 -37.51 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.514 ' CD2' ' HD2' ' A' ' 103' ' ' PRO . 53.0 t-105 -47.66 137.86 9.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.564 0.697 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.4 Cg_endo -69.74 -170.2 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.272 . . . . 0.0 112.34 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -110.06 -35.39 6.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.56 -23.28 66.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -112.08 21.81 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 t -100.95 -39.01 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.83 25.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.3 m -116.8 -28.8 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.61 -51.12 9.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -49.17 -29.22 5.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -90.3 -27.9 19.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -105.34 76.54 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.413 ' CG ' ' N ' ' A' ' 115' ' ' SER . 23.6 t-20 -121.44 169.44 10.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 114' ' ' ASN . 51.4 p -98.47 134.45 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.32 147.34 16.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.5 Cg_endo -69.76 96.05 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.308 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' PRO . 6.6 m 37.94 41.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.6 p -153.2 134.41 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.4 t 67.1 42.74 2.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.8 t -73.72 -47.29 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.76 -168.42 15.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.3 t -93.34 81.22 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.6 p -130.83 138.93 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.01 72.77 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -122.23 106.53 11.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -125.17 168.39 13.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 66.1 mt -36.85 121.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -128.3 125.48 23.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.414 ' CD ' HD21 ' A' ' 96' ' ' LEU . 64.3 Cg_exo -47.97 120.68 5.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -66.48 168.61 8.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -52.0 -36.37 49.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.38 -38.26 22.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -67.85 145.63 54.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -137.33 151.63 48.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.9 mt -96.84 130.27 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.2 m -134.38 179.65 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.455 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 19.2 ttt180 -125.28 139.77 53.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 31' ' ' LEU . 23.3 t -77.09 152.01 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.44 ' N ' HG13 ' A' ' 30' ' ' VAL . 7.5 mt -127.74 -55.3 1.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 -154.36 162.75 40.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 m -134.63 119.58 14.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 111.172 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -1.03 7.8 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.706 2.27 . . . . 0.0 112.329 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.23 -40.22 2.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -61.06 -174.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 42.7 p30 -81.46 40.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.49 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 16.9 mt -133.24 166.93 21.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.552 ' CE1' HD13 ' A' ' 63' ' ' ILE . 39.2 m-70 -152.3 127.7 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' OE2' ' C ' ' A' ' 49' ' ' PHE . 3.4 tp10 -85.03 102.74 13.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.8 m -110.35 178.71 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -143.49 147.45 34.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.9 p -87.13 -179.36 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.19 -19.47 59.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -91.77 23.74 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.8 61.73 7.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -133.39 101.32 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -80.28 142.91 34.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.407 ' C ' ' OE2' ' A' ' 40' ' ' GLU . 22.4 p90 -166.32 174.94 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.4 mt -105.8 156.38 18.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -139.85 142.88 31.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -89.19 161.22 16.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.9 tpt -101.82 132.62 21.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.541 0.686 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.465 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 66.4 Cg_exo -48.02 170.93 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.697 2.265 . . . . 0.0 112.357 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -83.91 -41.97 16.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.548 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.0 pttm -66.55 -26.85 67.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.548 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 12.3 m-30 -84.46 24.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -60.7 78.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' TYR . 2.8 ttpm? -175.21 134.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -56.53 87.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.463 HG21 ' N ' ' A' ' 62' ' ' TRP . 26.2 mt -74.66 155.21 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.525 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 28.4 t90 -81.91 87.73 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.552 HD13 ' CE1' ' A' ' 39' ' ' HIS . 86.0 mt -116.64 115.01 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.525 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 43.4 mtmt -118.95 170.78 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -57.75 146.72 30.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.455 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 89.41 -35.73 3.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.454 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -53.72 122.28 9.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -90.99 129.02 37.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.3 mt -127.74 168.05 15.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 85' ' ' SER . 91.9 mt -111.26 107.64 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.5 m -102.18 157.08 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -122.34 129.64 25.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 110.855 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.0 49.45 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.9 mt -118.79 153.8 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.78 177.8 1.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -42.42 113.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.95 -141.13 3.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -51.97 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -82.6 18.66 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.9 t -100.15 138.19 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -83.44 -44.57 14.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 72' ' ' ASP . . . -153.91 178.4 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -134.1 138.39 45.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.459 HG21 ' N ' ' A' ' 85' ' ' SER . 40.9 mt -55.36 146.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.459 ' N ' HG21 ' A' ' 84' ' ' ILE . 30.2 m -115.33 -42.65 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.815 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -153.18 173.02 16.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -114.29 104.76 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.4 mt -69.04 154.21 42.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' LYS . 26.7 p -133.1 159.49 39.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' CYS . 2.4 mmmm -34.77 -45.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' HIS . 5.5 m-20 -63.58 -63.87 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' VAL . 3.3 t-160 -36.58 -59.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 92' ' ' HIS . 84.6 t -34.27 -59.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -43.07 -58.66 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.1 m -41.78 -61.74 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.414 HD21 ' CD ' ' A' ' 21' ' ' PRO . 39.6 mt -55.22 -43.36 74.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -56.92 -39.26 74.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -72.45 -47.76 46.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.51 -22.61 66.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.85 40.81 5.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -115.46 -35.84 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.517 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 49.8 t-105 -53.61 139.18 50.31 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.572 0.701 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 54.1 Cg_endo -69.67 -175.05 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.382 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -108.74 -34.39 6.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.36 -7.56 14.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -125.35 12.5 8.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -93.11 -30.83 15.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -94.82 23.9 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.3 m -119.39 -12.69 10.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.6 50.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -118.6 -44.77 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -26.11 38.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -50.57 -48.54 57.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -83.67 127.39 33.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.0 m 56.07 49.77 14.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -133.56 -158.32 8.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 2.82 3.21 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.226 . . . . 0.0 112.365 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.4 t -48.32 137.88 10.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.5 t -56.91 141.13 46.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -94.54 143.26 26.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.8 p -64.59 157.65 26.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.92 -39.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.6 t -38.97 102.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.825 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.6 m -54.7 128.64 33.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.67 -97.81 0.57 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -59.74 100.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.44 ' CG ' ' H ' ' A' ' 19' ' ' ILE . 49.4 t-80 -109.3 171.25 7.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.44 ' H ' ' CG ' ' A' ' 18' ' ' HIS . 80.6 mt -46.8 114.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.0 t -123.88 130.97 24.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.711 . . . . 0.0 111.129 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -48.0 119.61 4.06 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.256 . . . . 0.0 112.365 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -70.21 152.41 44.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -42.14 -50.46 4.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -66.25 -46.07 78.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -60.55 175.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -162.28 153.15 17.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.8 mt -94.32 125.14 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.77 165.81 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.51 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 28.0 ttt180 -113.68 138.13 50.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.5 t -70.56 159.52 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.4 mt -129.07 -63.42 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -158.51 127.88 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.537 HG21 ' CE1' ' A' ' 39' ' ' HIS . 9.7 m -94.74 120.42 64.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.574 0.702 . . . . 0.0 111.199 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -1.79 9.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.34 -49.3 0.96 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -52.43 -174.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.7 p30 -81.36 40.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 40.2 mt -138.1 160.63 38.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.56 ' CE1' HD12 ' A' ' 63' ' ' ILE . 31.0 m-70 -145.41 132.17 20.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -89.49 114.83 26.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.5 m -119.52 177.56 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -140.62 143.4 35.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.5 p -86.7 176.62 7.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.79 -19.54 60.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -92.14 23.48 3.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.3 65.63 3.32 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -138.92 107.91 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -85.63 143.44 28.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -165.94 179.9 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -114.68 155.82 25.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.5 m -136.68 143.31 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 t -87.56 163.73 16.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.404 ' CE ' HD12 ' A' ' 61' ' ' ILE . 5.6 tpt -98.44 133.27 22.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.688 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.4 Cg_exo -48.0 169.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 t -87.03 -25.49 24.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.548 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 19.9 pttt -84.73 -16.26 42.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.563 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 12.1 m-30 -94.23 31.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -63.05 79.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -175.02 166.18 3.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -81.61 85.31 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 62' ' ' TRP . 22.1 mt -74.71 141.17 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.442 ' N ' HG22 ' A' ' 61' ' ' ILE . 23.0 t90 -75.04 87.18 2.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.56 HD12 ' CE1' ' A' ' 39' ' ' HIS . 69.8 mt -115.07 109.03 26.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.418 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 7.6 mtmp? -105.4 -178.51 3.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -79.07 144.97 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.74 -35.13 4.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -58.84 127.33 31.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.51 ' CE2' ' HB2' ' A' ' 29' ' ' ARG . 56.3 m-85 -89.81 132.82 35.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.3 mt -131.5 169.26 16.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' SER . 97.4 mt -109.8 112.4 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 m -111.24 155.28 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -124.47 136.3 27.61 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.613 0.72 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 150.77 68.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.459 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 13.9 mt -119.85 151.35 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.14 173.01 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -39.28 103.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.97 -138.24 2.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -52.25 -177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.374 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -83.05 19.51 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.9 t -100.04 141.94 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.453 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 5.1 mmpt? -81.36 -54.14 5.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 72' ' ' ASP . . . -145.06 179.16 7.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.048 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.459 ' HG3' ' CD1' ' A' ' 74' ' ' ILE . 26.0 mt-10 -131.49 140.93 49.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 62.2 mt -53.51 145.04 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' ILE . 14.4 m -114.42 -44.82 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.448 ' CG ' ' O ' ' A' ' 85' ' ' SER . 91.7 m-85 -160.13 161.54 33.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 72.1 t -102.97 105.49 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.3 mt -66.74 150.44 49.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' LYS . 88.6 m -122.48 159.44 27.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' CYS . 21.0 mmmt -36.34 -45.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -64.03 -56.18 16.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 93' ' ' VAL . 2.1 t-160 -40.61 -62.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 92' ' ' HIS . 93.6 t -34.9 -54.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.51 -51.13 57.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.5 m -49.68 -65.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 39.9 mt -47.13 -44.16 21.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.483 ' NE2' ' CD2' ' A' ' 113' ' ' HIS . 67.9 mt-30 -59.6 -41.34 90.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -69.37 -39.45 78.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.99 -20.68 63.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.87 39.66 6.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -116.0 -42.59 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.511 ' CD2' ' HD2' ' A' ' 103' ' ' PRO . 61.7 t-105 -42.26 137.38 2.19 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.576 0.703 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.511 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 54.0 Cg_endo -69.72 168.67 20.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.377 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -90.57 -30.23 17.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.15 -8.21 29.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -127.48 -2.94 6.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.69 -48.26 82.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -83.18 41.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 52.5 t -128.19 -40.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.454 ' HB3' ' CB ' ' A' ' 113' ' ' HIS . . . -53.68 120.22 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -58.76 146.6 36.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.4 tptm 45.6 45.53 10.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.483 ' CD2' ' NE2' ' A' ' 97' ' ' GLN . 36.0 t60 -126.66 81.67 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 115' ' ' SER . 8.5 m120 -69.1 -54.01 17.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' ASN . 8.6 t -34.54 136.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 155.69 -157.69 27.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 0.71 5.24 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.262 . . . . 0.0 112.371 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -46.11 127.07 8.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.0 t -91.25 108.29 19.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.493 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.8 m -80.11 138.27 36.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.9 p 39.8 42.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.31 -120.03 6.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.1 m -76.21 166.82 22.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.6 p -86.35 121.73 29.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.87 -118.04 1.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 57.23 44.92 21.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.456 ' CG ' ' N ' ' A' ' 19' ' ' ILE . 56.8 t-80 -71.3 169.78 14.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.456 ' N ' ' CG ' ' A' ' 18' ' ' HIS . 84.8 mt -40.01 124.04 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.9 t -138.3 132.68 16.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 111.161 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.98 119.22 3.69 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.464 ' N ' ' HB2' ' A' ' 25' ' ' GLN . 39.2 m -54.24 -176.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -57.84 -47.55 82.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -82.32 -43.98 16.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.464 ' HB2' ' N ' ' A' ' 22' ' ' SER . 14.8 mt-30 -43.91 139.75 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -135.3 146.0 48.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.407 ' CD1' HD12 ' A' ' 96' ' ' LEU . 97.2 mt -89.03 118.87 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.447 ' CG2' HG22 ' A' ' 41' ' ' VAL . 29.0 m -123.18 176.6 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 25.8 ttp180 -124.4 142.76 51.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.3 t -75.95 148.55 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.431 ' CD1' ' HD3' ' A' ' 48' ' ' ARG . 49.4 mt -124.7 -60.24 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -151.86 142.15 22.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 37.6 m -115.68 116.64 40.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.591 0.71 . . . . 0.0 111.157 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 3.03 2.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.04 -48.57 1.78 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -51.64 -174.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -81.59 40.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.1 mt -136.89 162.0 34.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.457 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 56.1 m-70 -146.74 139.47 25.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -99.99 110.89 23.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.447 HG22 ' CG2' ' A' ' 28' ' ' VAL . 32.7 m -121.47 174.21 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -134.94 152.73 51.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.7 p -93.29 -179.58 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.08 -25.05 61.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -88.39 24.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.74 66.72 2.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -137.63 104.96 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.431 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 50.6 mtt180 -81.48 146.6 30.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -167.6 172.45 9.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -107.11 153.33 22.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.457 ' CG2' ' HB2' ' A' ' 39' ' ' HIS . 30.2 m -131.25 166.76 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 m -116.81 162.35 17.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.0 tpt -96.09 130.36 31.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.714 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 Cg_exo -48.02 141.93 16.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.335 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.3 m -59.76 -38.88 83.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.16 -8.32 58.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 3.5 m-30 -94.03 30.7 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -66.62 85.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -174.86 173.61 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -92.37 77.79 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 62' ' ' TRP . 16.5 mt -68.2 145.46 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.161 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.46 ' N ' HG22 ' A' ' 61' ' ' ILE . 14.4 t-105 -74.92 101.56 4.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.44 HG21 ' N ' ' A' ' 64' ' ' LYS . 51.6 mt -121.64 136.2 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.44 ' N ' HG21 ' A' ' 63' ' ' ILE . 9.0 mmpt? -131.63 162.09 31.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.468 ' HG2' ' N ' ' A' ' 66' ' ' GLY . 14.7 ttt180 -64.45 145.98 55.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.468 ' N ' ' HG2' ' A' ' 65' ' ' ARG . . . 82.93 -32.66 2.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -46.86 128.02 10.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.48 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 24.5 m-85 -88.13 131.84 34.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.4 mt -134.41 161.57 34.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 57.6 mt -100.69 109.52 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.2 m -101.18 147.25 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -120.59 128.69 25.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.643 0.735 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 143.78 52.09 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.462 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 8.3 mt -117.06 151.39 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.27 -177.25 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -38.25 121.5 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.4 -146.34 5.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -55.21 -174.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.917 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -83.69 22.12 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 96.8 t -100.24 137.28 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.448 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 8.7 mmpt? -78.0 -62.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -137.42 177.02 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.462 ' HG3' ' CD1' ' A' ' 74' ' ' ILE . 19.2 mt-10 -131.09 145.49 52.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 35.4 mt -54.69 139.74 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.9 m -114.16 -48.32 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -155.15 134.32 12.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.5 t -79.31 106.98 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.41 HD22 ' CG ' ' A' ' 92' ' ' HIS . 35.4 mt -67.31 125.48 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 59.0 m -98.29 162.01 13.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -40.51 -44.82 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -56.24 13.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' VAL . 3.2 t-160 -40.61 -60.64 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.514 HG12 ' CZ2' ' A' ' 102' ' ' TRP . 91.9 t -35.33 -52.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -49.68 72.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.9 m -48.84 -58.22 5.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.407 HD12 ' CD1' ' A' ' 27' ' ' ILE . 51.5 mt -56.26 -40.65 74.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -58.9 -46.71 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -62.27 -47.06 86.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -61.62 -28.85 69.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.63 31.5 7.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -108.41 -42.6 4.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.362 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.514 ' CZ2' HG12 ' A' ' 93' ' ' VAL . 60.8 t-105 -40.0 138.07 1.13 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.566 0.698 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.3 Cg_endo -69.78 160.5 49.47 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -84.3 -40.77 17.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -52.84 -39.11 62.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.077 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -100.96 23.27 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.3 t -98.2 -44.12 6.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.48 37.72 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 17.9 m -127.75 -29.44 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.71 38.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -106.34 -56.86 2.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -108.58 72.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -116.5 -43.63 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -70.0 98.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 45.2 m -69.96 117.52 11.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.52 83.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.428 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 161.03 47.49 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.678 2.252 . . . . 0.0 112.386 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.6 p -107.5 -27.69 10.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.0 t -75.43 99.68 4.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.443 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 t -92.41 88.58 6.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 110.884 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -115.22 125.5 53.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.66 86.96 1.92 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.451 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.6 t -73.78 94.42 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.834 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.2 m -97.59 101.21 12.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.818 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -126.86 98.19 0.5 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -63.21 164.33 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.41 ' CG ' ' H ' ' A' ' 19' ' ' ILE . 43.8 t-80 -166.59 171.73 11.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.41 ' H ' ' CG ' ' A' ' 18' ' ' HIS . 59.7 mt -48.48 101.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.5 t -121.45 136.08 25.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.94 120.81 5.14 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.686 2.257 . . . . 0.0 112.334 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t -69.94 -177.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -63.08 -48.09 80.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -75.18 -42.51 55.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -56.52 169.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -162.27 147.53 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 89.8 mt -87.36 128.73 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.6 m -133.95 178.17 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.482 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 30.8 ttp180 -128.32 137.54 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 96.1 t -70.3 156.98 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 26.0 mt -134.08 -47.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.416 ' NH1' ' HA ' ' A' ' 34' ' ' PRO . 0.8 OUTLIER -169.01 146.28 3.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.406 ' N ' ' HD3' ' A' ' 32' ' ' ARG . 15.2 m -119.98 119.98 30.63 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.587 0.708 . . . . 0.0 111.167 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.416 ' HA ' ' NH1' ' A' ' 32' ' ' ARG . 53.7 Cg_endo -69.69 1.37 4.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.57 -48.34 1.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -52.16 -174.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -81.54 40.69 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.468 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 26.3 mt -133.01 166.36 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.519 ' CE1' HD13 ' A' ' 63' ' ' ILE . 45.1 m-70 -152.66 128.37 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -87.6 111.64 21.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.821 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.618 ' CG2' ' CZ ' ' A' ' 49' ' ' PHE . 26.1 m -120.42 171.23 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -130.01 155.34 46.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 p -98.29 -176.59 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.82 -28.15 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -87.0 26.27 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.36 62.1 6.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -129.91 110.87 12.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 110.952 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -82.4 145.64 29.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.618 ' CZ ' ' CG2' ' A' ' 41' ' ' VAL . 19.0 p90 -167.5 173.21 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.7 mt -111.35 150.75 29.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.6 m -130.28 162.21 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -108.26 163.41 13.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.435 ' CE ' HD11 ' A' ' 61' ' ' ILE . 5.5 tpt -98.08 128.2 34.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.564 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 66.5 Cg_exo -48.06 157.49 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t -75.43 -44.5 44.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.547 ' HG3' ' CE1' ' A' ' 57' ' ' TYR . 6.9 pttp -62.1 -20.3 63.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.564 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 13.5 m-30 -95.92 32.01 1.98 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 -63.48 77.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 57' ' ' TYR . 28.2 mttt -161.94 -175.27 4.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -100.11 79.64 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.435 HD11 ' CE ' ' A' ' 53' ' ' MET . 21.3 mt -71.35 137.52 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.402 ' CZ2' ' HD2' ' A' ' 64' ' ' LYS . 13.7 t-105 -77.36 101.66 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.519 HD13 ' CE1' ' A' ' 39' ' ' HIS . 57.1 mt -116.94 135.05 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' N ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -121.39 174.08 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -78.73 139.45 38.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.56 -32.74 5.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -47.72 129.49 13.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.821 0.343 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.482 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 54.3 m-85 -88.25 123.08 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.6 mt -126.8 159.07 34.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.94 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 85' ' ' SER . 75.5 mt -102.14 110.96 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.3 m -106.28 155.79 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 12.4 t0 -126.73 133.88 25.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 147.5 62.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.418 HD13 ' CD ' ' A' ' 83' ' ' GLU . 12.6 mt -118.84 146.08 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -59.3 -175.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -48.31 114.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.46 -136.14 1.95 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -57.31 -176.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.923 0.392 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -83.85 20.25 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.472 HG11 ' N ' ' A' ' 81' ' ' LYS . 58.8 t -100.28 139.21 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.472 ' N ' HG11 ' A' ' 80' ' ' VAL . 6.0 mmpt? -78.78 -56.16 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 72' ' ' ASP . . . -143.17 -176.02 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.418 ' CD ' HD13 ' A' ' 74' ' ' ILE . 43.8 mt-10 -139.94 144.8 37.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' ' 85' ' ' SER . 44.0 mt -53.64 141.13 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.516 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 67.5 m -113.33 -41.7 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 85' ' ' SER . 96.4 m-85 -161.53 155.81 22.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.3 t -96.41 122.68 48.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 28.9 mt -87.02 147.1 25.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 90' ' ' LYS . 26.4 p -125.64 162.57 24.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 89' ' ' CYS . 14.8 tptp -34.36 -53.88 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 92' ' ' HIS . 4.8 t0 -62.36 -60.31 3.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t-160 -34.31 -59.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.569 HG22 ' CH2' ' A' ' 102' ' ' TRP . 77.0 t -48.48 -45.07 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 91' ' ' ASP . 16.6 mmt180 -49.6 -43.49 46.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.8 m -65.87 -62.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 70.5 mt -43.36 -42.91 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -61.74 -45.58 93.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -66.25 -44.27 84.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -59.65 -29.12 67.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.38 40.93 4.08 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.529 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 102' ' ' TRP . 59.8 m-85 -119.65 -45.64 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.569 ' CH2' HG22 ' A' ' 93' ' ' VAL . 61.7 t-105 -38.22 139.46 0.65 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.6 0.714 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.7 Cg_endo -69.8 170.96 15.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -94.16 -32.07 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.23 91.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -100.65 24.11 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.6 t -95.91 -38.14 10.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -83.46 40.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.3 m -131.08 -39.71 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.79 -46.44 14.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -52.47 -51.85 57.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -112.23 79.41 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 114' ' ' ASN . 23.4 p-80 -109.54 -42.66 4.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.437 ' N ' ' CG ' ' A' ' 113' ' ' HIS . 0.2 OUTLIER -93.18 173.49 7.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 45.2 t -51.99 -44.0 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 60.74 122.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' A' ' 119' ' ' SER . 54.0 Cg_endo -69.72 -0.36 6.77 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.252 . . . . 0.0 112.348 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.6 m -48.17 90.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 117' ' ' PRO . 98.4 p -61.53 135.86 57.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.926 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -76.07 -45.78 32.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.5 t -103.81 135.95 44.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.817 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.03 145.04 19.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.9 p -65.9 89.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.819 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.1 m 39.31 42.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.83 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.85 -64.15 3.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -126.69 162.16 26.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.368 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.41 ' CG ' ' H ' ' A' ' 19' ' ' ILE . 40.8 t-80 -66.32 172.44 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.41 ' H ' ' CG ' ' A' ' 18' ' ' HIS . 96.5 mt -49.98 119.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.0 t -131.35 127.11 21.62 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.647 0.737 . . . . 0.0 111.134 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.442 ' CD ' HD21 ' A' ' 96' ' ' LEU . 65.8 Cg_exo -47.98 123.28 8.41 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 t -78.72 -177.34 5.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -62.51 -36.32 82.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -81.76 -39.12 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.44 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 52.1 mt-30 -72.24 158.52 35.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -154.77 144.51 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.1 mt -88.98 136.52 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.42 ' CG2' ' CG2' ' A' ' 41' ' ' VAL . 26.8 m -143.25 171.28 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.515 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 9.4 ttt-85 -115.51 135.08 54.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.3 t -71.93 144.3 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 43.2 mt -114.41 -64.6 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -152.81 144.92 23.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.438 HG21 ' CE1' ' A' ' 39' ' ' HIS . 9.2 m -112.11 120.81 40.94 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.538 0.685 . . . . 0.0 111.184 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -10.75 29.38 Favored 'Trans proline' 0 N--CA 1.466 -0.134 0 C-N-CA 122.736 2.291 . . . . 0.0 112.345 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.75 -49.79 0.83 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -51.71 -174.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -81.4 40.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.554 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 20.5 mt -133.88 169.81 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 38' ' ' LEU . 41.7 m-70 -154.75 134.4 12.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -91.78 123.62 35.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.42 ' CG2' ' CG2' ' A' ' 28' ' ' VAL . 20.9 m -131.71 173.02 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.091 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -136.01 142.76 44.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.3 p -86.73 174.42 8.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.9 -23.14 64.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -89.63 24.08 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.06 61.71 7.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -130.72 103.53 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.7 mtt85 -86.25 142.46 28.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -168.74 179.16 4.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -111.0 157.59 19.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.3 m -138.5 150.43 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -99.53 164.17 12.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.433 ' SD ' ' CD1' ' A' ' 84' ' ' ILE . 6.0 tpt -97.23 130.63 29.2 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.594 0.711 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.506 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.5 Cg_exo -47.99 164.34 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.229 . . . . 0.0 112.394 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.8 m -80.45 -39.16 28.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.501 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 26.6 pttt -71.2 -15.29 62.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.506 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 11.1 m-30 -95.2 27.6 3.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -60.3 79.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' TYR . 15.3 tptt -175.06 137.33 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -60.5 87.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 62' ' ' TRP . 16.1 mt -75.11 149.56 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.423 ' N ' HG22 ' A' ' 61' ' ' ILE . 14.8 t-105 -78.27 101.54 7.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.492 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 53.8 mt -120.51 137.17 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.457 ' N ' HG21 ' A' ' 63' ' ' ILE . 9.0 mmpt? -131.12 171.73 12.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -70.74 144.1 51.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.59 -23.74 9.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -56.17 126.62 26.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.515 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 81.9 m-85 -89.6 130.08 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.0 mt -137.42 170.54 15.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 85' ' ' SER . 96.6 mt -111.42 119.76 60.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 m -114.45 150.99 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -120.12 135.78 24.61 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.661 0.743 . . . . 0.0 110.877 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 151.01 68.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.454 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 7.3 mt -118.97 158.75 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' GLU . 6.3 pt-20 -82.3 176.55 9.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 75' ' ' GLU . 51.0 mm-40 -37.73 102.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -163.87 -125.78 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.94 168.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 18.55 0.84 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.1 t -99.98 134.64 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.466 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 9.3 mmpt? -69.55 -54.13 15.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.1 177.13 8.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.123 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.454 ' HG3' ' CD1' ' A' ' 74' ' ' ILE . 30.3 mt-10 -136.52 140.37 42.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.433 ' CD1' ' SD ' ' A' ' 53' ' ' MET . 53.9 mt -47.89 157.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.14 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 70' ' ' ILE . 9.4 m -131.99 -34.41 1.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 85' ' ' SER . 94.4 m-85 -161.36 168.09 24.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.9 t -111.71 105.99 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.509 HD22 ' CG ' ' A' ' 92' ' ' HIS . 17.8 mt -68.39 154.06 42.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' LYS . 69.0 m -132.88 162.07 32.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' CYS . 37.6 mttt -36.21 -51.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' HIS . 50.7 m-20 -60.16 -59.48 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.509 ' CG ' HD22 ' A' ' 88' ' ' LEU . 2.8 t-160 -35.76 -57.47 0.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.567 HG23 ' CH2' ' A' ' 102' ' ' TRP . 90.3 t -48.39 -48.18 13.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.4 mmm-85 -46.6 -35.87 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.3 m -71.81 -73.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.442 HD21 ' CD ' ' A' ' 21' ' ' PRO . 13.9 mt -47.29 -22.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -79.14 -36.78 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 7.3 ptpp? -81.85 -35.16 29.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 24.1 mt-10 -69.16 -19.79 64.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.32 38.94 6.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -115.21 -48.13 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.567 ' CH2' HG23 ' A' ' 93' ' ' VAL . 61.3 t-105 -39.64 138.57 0.98 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.517 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.5 Cg_endo -69.74 156.63 62.91 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -77.28 -48.14 18.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -46.24 -28.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 9.1 m-30 -101.56 -30.61 11.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.8 t -45.18 -29.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.06 28.67 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 106' ' ' PHE . 53.8 t -117.71 -39.79 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -84.66 -62.64 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 110' ' ' ALA . 19.8 tp10 -36.15 -49.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -110.19 95.29 5.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -144.11 120.41 10.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -102.47 82.85 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.3 t -56.83 -57.96 10.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -172.93 -80.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.53 5.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.4 t -108.56 -52.39 2.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.0 m -87.13 151.49 23.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.8 t -119.11 92.38 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -97.03 148.86 22.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.92 110.41 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.521 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.4 t -88.6 149.38 23.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.383 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.5 m -98.33 111.57 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -151.99 -75.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -73.94 136.57 43.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.402 ' CG ' ' H ' ' A' ' 19' ' ' ILE . 54.2 t-80 -72.1 170.51 13.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.402 ' H ' ' CG ' ' A' ' 18' ' ' HIS . 86.1 mt -47.71 124.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.7 t -131.95 130.53 22.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.717 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -47.94 123.1 8.1 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.359 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 m -67.57 174.91 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -60.15 -48.56 81.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -75.85 -37.11 59.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -64.07 161.24 16.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -154.76 149.23 26.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.5 mt -88.91 125.19 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.7 m -130.23 -179.66 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 17.8 ttt180 -125.99 134.99 51.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.87 147.25 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.9 mt -119.44 -51.7 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 32' ' ' ARG . 4.8 ptp180 -168.05 156.26 8.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 34.8 m -123.61 121.14 26.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 111.133 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -18.0 37.18 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 122.24 -46.84 1.07 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -53.48 -174.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -81.34 40.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.427 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 22.5 mt -135.6 169.88 16.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.543 ' CE1' HD13 ' A' ' 63' ' ' ILE . 51.2 m-70 -152.05 132.26 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -89.76 113.56 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.473 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 19.8 m -120.06 -175.71 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -145.89 147.88 32.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.0 p -89.63 178.35 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.09 -22.21 61.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -91.56 25.43 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.29 61.66 7.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -130.79 104.88 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -82.04 143.73 31.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.473 ' CZ ' HG22 ' A' ' 41' ' ' VAL . 30.4 p90 -167.18 176.65 6.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -109.52 147.72 32.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.414 ' CG2' ' HB2' ' A' ' 39' ' ' HIS . 30.9 m -122.85 165.5 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.6 p -99.8 179.26 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.8 tpt -124.96 119.14 25.5 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 66.3 Cg_exo -47.98 162.29 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.331 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.6 t -76.85 -47.44 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.54 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 31.8 pttt -60.46 -15.81 30.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.54 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.0 m-30 -95.48 30.26 2.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -67.15 80.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -175.02 -179.49 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.49 81.74 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.444 HG21 ' N ' ' A' ' 62' ' ' TRP . 25.2 mt -70.77 150.36 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.468 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 26.0 t90 -76.73 87.07 3.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.543 HD13 ' CE1' ' A' ' 39' ' ' HIS . 47.1 mt -116.46 110.65 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 45.8 mtmt -120.66 172.05 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -66.31 125.92 27.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.442 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 111.4 -29.2 8.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -64.65 125.92 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' A' ' 106' ' ' PHE . 12.6 m-85 -89.01 136.27 33.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.1 mt -140.31 154.91 46.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 85' ' ' SER . 66.6 mt -94.42 119.0 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.7 m -111.32 150.94 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.82 126.18 27.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 147.11 62.35 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.424 HD12 ' CD ' ' A' ' 83' ' ' GLU . 10.5 mt -121.19 149.59 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.418 ' N ' HG22 ' A' ' 74' ' ' ILE . 1.9 pt-20 -67.09 -178.87 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -42.01 113.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.41 -134.81 1.78 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -53.76 175.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.5 18.53 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.3 t -100.21 140.97 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.461 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 10.7 mmpt? -76.34 -66.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.32 178.02 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.424 ' CD ' HD12 ' A' ' 74' ' ' ILE . 8.3 mt-10 -128.22 136.9 51.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 72.1 mt -52.56 147.94 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.2 m -122.0 -45.95 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -154.26 164.03 39.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.6 t -107.82 104.59 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.504 HD23 ' CG ' ' A' ' 92' ' ' HIS . 19.5 mt -67.43 145.09 55.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 90' ' ' LYS . 2.3 t -121.89 162.15 21.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 89' ' ' CYS . 62.8 mttp -36.97 -43.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 92' ' ' HIS . 1.4 p-10 -66.78 -61.39 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.876 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.504 ' CG ' HD23 ' A' ' 88' ' ' LEU . 3.4 t-160 -36.96 -59.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 94' ' ' ARG . 58.4 t -36.29 -70.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' VAL . 1.8 mpt_? -36.2 -47.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -51.09 -64.84 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 40.8 mt -51.2 -41.81 60.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -56.58 -52.13 65.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -66.28 -33.46 75.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -69.16 -24.16 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.11 38.81 5.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -120.11 -45.37 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.525 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 58.6 t-105 -40.15 139.3 1.04 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.75 -172.69 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.623 2.216 . . . . 0.0 112.36 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -105.94 -41.6 5.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.0 -34.66 63.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.4 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 3.9 m-85 -102.09 17.16 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -95.7 -31.55 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -91.79 23.57 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.0 m -118.49 -19.37 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.47 -54.43 2.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -40.75 -52.02 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -92.16 88.12 6.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -171.67 128.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -83.63 102.51 12.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.6 p -77.52 -49.66 14.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -162.03 -170.97 27.52 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.548 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 92.61 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.653 2.235 . . . . 0.0 112.38 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.7 m -40.02 111.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.0 p -47.89 123.47 6.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 m 53.53 42.27 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -45.21 106.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.72 -58.65 0.4 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.6 p 44.81 40.62 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 m -83.29 -58.51 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -179.54 -62.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.11 110.95 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.42 ' ND1' ' N ' ' A' ' 19' ' ' ILE . 60.7 t-80 -71.49 168.13 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.42 ' N ' ' ND1' ' A' ' 18' ' ' HIS . 84.0 mt -43.35 129.04 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.459 ' CG1' ' HD2' ' A' ' 21' ' ' PRO . 59.3 t -139.13 139.14 22.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 111.165 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HD2' ' CG1' ' A' ' 20' ' ' VAL . 65.1 Cg_exo -47.92 121.98 6.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.314 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.646 ' H ' ' NE2' ' A' ' 25' ' ' GLN . 7.4 t -62.2 174.91 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 23' ' ' ASN . 29.6 t-20 -54.95 -52.82 61.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -75.15 -37.11 61.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.646 ' NE2' ' H ' ' A' ' 22' ' ' SER . 11.8 mt-30 -53.12 167.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -159.8 148.84 17.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.1 mt -91.75 117.54 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.1 m -125.12 175.13 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.486 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 55.1 ttp180 -123.17 129.49 51.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 31' ' ' LEU . 18.1 t -64.03 150.22 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.428 ' N ' HG12 ' A' ' 30' ' ' VAL . 25.1 mt -121.48 -59.16 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -160.71 134.86 7.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.56 HG22 ' CE1' ' A' ' 39' ' ' HIS . 9.0 m -104.37 120.72 49.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.589 0.709 . . . . 0.0 111.131 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -0.86 7.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.08 -50.56 0.83 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -52.2 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.926 0.394 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -81.23 40.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.508 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 20.1 mt -134.85 166.9 21.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.564 ' CE1' HD11 ' A' ' 63' ' ' ILE . 42.3 m-70 -153.06 137.54 16.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -96.46 110.78 23.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 19.9 m -120.88 170.58 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -133.48 146.39 51.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -88.47 -178.87 5.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.84 -19.53 60.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -91.81 24.13 3.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.19 61.68 7.18 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -133.79 108.31 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.994 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -85.42 144.42 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -167.67 173.34 8.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -107.09 155.93 19.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 m -139.13 147.35 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 t -93.96 163.89 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.423 ' SD ' ' CD1' ' A' ' 84' ' ' ILE . 4.9 tpt -96.34 132.27 26.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.506 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.6 Cg_exo -48.02 143.84 13.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.268 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.2 m -64.21 -8.69 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.613 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -93.19 -39.68 10.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.613 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 22.1 m-30 -82.26 38.33 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -64.22 76.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 57' ' ' TYR . 21.8 ttmt -175.96 137.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -55.56 89.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 62' ' ' TRP . 21.3 mt -76.34 153.65 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.454 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 28.3 t90 -78.29 88.09 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.564 HD11 ' CE1' ' A' ' 39' ' ' HIS . 56.1 mt -117.46 116.46 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 34.4 mtmt -115.45 171.65 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -70.26 146.57 50.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.48 -30.51 8.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -65.48 134.06 52.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.486 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 71.5 m-85 -94.89 123.3 38.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.9 mt -124.55 162.29 24.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 85' ' ' SER . 93.1 mt -104.44 116.3 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.8 m -113.23 157.1 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -125.76 135.66 27.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.48 67.65 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 11.6 mt -124.19 153.0 30.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 76' ' ' GLU . 4.7 pt-20 -72.37 173.23 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 75' ' ' GLU . 34.9 mt-10 -35.7 111.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -163.15 -137.1 2.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -58.45 -174.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -83.17 21.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.9 t -100.16 138.11 25.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.471 ' HE3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -82.98 -50.87 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -145.91 178.71 7.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.461 ' HG3' ' CD1' ' A' ' 74' ' ' ILE . 17.6 mt-10 -136.24 139.77 42.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 85' ' ' SER . 64.8 mt -50.05 156.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.539 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 20.0 m -129.05 -43.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.539 ' CG ' ' O ' ' A' ' 85' ' ' SER . 92.5 m-85 -162.95 153.07 16.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.3 t -95.02 107.64 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.417 HD23 ' CG ' ' A' ' 92' ' ' HIS . 29.1 mt -66.03 146.77 54.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 33.6 m -122.16 171.86 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -42.35 -61.09 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 94' ' ' ARG . 8.8 m-20 -54.56 -58.98 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.6 t-160 -36.47 -59.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.566 HG22 ' CH2' ' A' ' 102' ' ' TRP . 71.8 t -48.44 -38.17 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 91' ' ' ASP . 17.7 mmt180 -59.51 -47.89 83.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' LYS . 26.4 m -60.03 -66.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.9 mt -41.87 -44.02 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.946 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -60.88 -35.64 77.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 95' ' ' SER . 4.8 mmmm -77.36 -47.51 19.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -59.14 -26.15 64.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.87 45.01 3.47 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -121.29 -38.06 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.566 ' CH2' HG22 ' A' ' 93' ' ' VAL . 50.5 t-105 -47.11 139.14 7.36 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.602 0.715 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.6 Cg_endo -69.78 -174.54 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.673 2.248 . . . . 0.0 112.345 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -107.39 -38.95 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.59 -8.45 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -126.17 10.95 7.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -87.23 -35.23 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.87 38.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 16.9 m -129.58 -38.22 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.1 -42.13 48.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -56.0 138.31 49.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.7 tttp 45.55 43.85 9.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.426 ' CG ' ' N ' ' A' ' 114' ' ' ASN . 11.7 p80 -63.65 -49.74 72.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.426 ' N ' ' CG ' ' A' ' 113' ' ' HIS . 67.3 m-20 -93.23 90.02 6.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.9 t -102.54 134.52 45.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 124.67 -115.11 2.39 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 118' ' ' SER . 54.0 Cg_endo -69.79 -9.9 27.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.609 2.206 . . . . 0.0 112.352 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 117' ' ' PRO . 46.5 t -34.92 120.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m -151.51 151.96 32.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.427 -179.934 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.4 t -107.14 -50.13 3.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.3 p -147.35 163.93 34.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.43 -148.63 4.79 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.3 m -147.64 167.15 25.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.384 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.5 p -108.94 7.69 26.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.9 70.52 0.48 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -98.39 -3.1 37.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.419 ' CG ' ' H ' ' A' ' 19' ' ' ILE . 52.0 t-80 -103.55 170.94 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.419 ' H ' ' CG ' ' A' ' 18' ' ' HIS . 76.2 mt -49.79 114.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.5 t -130.54 132.56 24.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -48.0 119.36 3.83 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.657 2.238 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.7 p -74.6 178.57 5.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -28.35 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -92.3 -36.9 12.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.407 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 13.2 mt-30 -70.91 159.95 33.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -151.58 150.49 30.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -93.59 124.24 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.454 HG22 ' CG2' ' A' ' 41' ' ' VAL . 16.1 m -129.29 172.31 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.418 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 22.0 ttt180 -119.45 130.37 55.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 31' ' ' LEU . 92.1 t -68.25 137.58 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.451 ' N ' HG12 ' A' ' 30' ' ' VAL . 22.2 mt -109.19 -53.58 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -162.74 161.21 26.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.401 HG23 ' CE1' ' A' ' 39' ' ' HIS . 15.5 m -133.42 123.87 17.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -20.32 35.13 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.62 -49.22 0.93 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -51.75 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -81.33 40.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.455 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 19.1 mt -134.8 164.78 26.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.455 ' CD2' ' C ' ' A' ' 38' ' ' LEU . 40.9 m-70 -151.16 138.49 19.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -95.03 109.96 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.55 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 28.8 m -116.77 170.39 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -134.92 148.24 50.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.7 p -90.93 -176.27 4.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.76 -23.77 55.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -90.39 25.78 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.54 62.22 6.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -130.74 103.3 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.923 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.423 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 51.4 mtt180 -82.49 143.01 31.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.55 ' CZ ' HG22 ' A' ' 41' ' ' VAL . 43.3 p90 -167.05 173.41 9.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.6 mt -108.81 155.89 20.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.13 150.1 26.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -93.58 170.84 9.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.435 ' SD ' ' CD1' ' A' ' 84' ' ' ILE . 5.4 tpt -108.77 128.45 25.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.702 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 64.8 Cg_exo -47.94 162.12 0.3 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -80.02 -38.47 31.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.8 pttp -70.02 -15.76 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 12.7 m-30 -97.72 28.87 3.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.81 81.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -173.5 178.8 2.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -88.54 91.75 8.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 62' ' ' TRP . 17.7 mt -86.8 153.44 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.456 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 18.4 t-105 -74.73 92.95 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.424 HG21 ' CE1' ' A' ' 39' ' ' HIS . 52.2 mt -120.43 120.24 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 19.2 mtmt -141.17 178.37 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 -71.36 148.08 47.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.418 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 81.24 -6.69 62.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.464 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.25 123.67 28.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.825 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -88.73 130.11 35.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.1 mt -142.61 150.16 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.407 ' CG2' ' HB3' ' A' ' 25' ' ' GLN . 89.1 mt -89.28 131.09 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.78 151.89 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 7.4 t70 -120.62 137.03 25.81 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.645 0.736 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.54 66.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.298 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.562 ' CD1' ' CG ' ' A' ' 83' ' ' GLU . 5.8 mt -114.64 159.54 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -77.41 175.88 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -45.68 95.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.48 -115.58 1.07 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -77.92 -174.64 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -83.21 22.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.8 t -100.06 137.19 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.451 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 2.8 mmpt? -76.04 -57.39 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.468 ' CB ' ' O ' ' A' ' 72' ' ' ASP . . . -141.13 177.26 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.562 ' CG ' ' CD1' ' A' ' 74' ' ' ILE . 3.5 mt-10 -129.45 132.67 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.435 ' CD1' ' SD ' ' A' ' 53' ' ' MET . 73.9 mt -45.91 146.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 71.7 m -119.03 -46.67 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -153.41 168.74 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 95.3 t -111.43 112.59 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 40.1 mt -75.38 143.17 42.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.47 172.29 7.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -48.42 -42.84 33.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -70.4 -57.83 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.844 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.6 t-160 -37.66 -57.33 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.549 HG22 ' CH2' ' A' ' 102' ' ' TRP . 65.7 t -45.52 -40.2 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 91' ' ' ASP . 20.6 mmt180 -53.73 -53.89 45.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 98' ' ' LYS . 71.2 m -52.73 -69.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.9 mt -38.09 -42.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -63.86 -44.71 92.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 95' ' ' SER . 13.0 ptmt -79.1 -14.07 59.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -85.8 -18.04 34.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.85 33.7 17.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -119.25 -41.92 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.549 ' CH2' HG22 ' A' ' 93' ' ' VAL . 60.9 t-105 -43.02 139.45 2.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.586 0.708 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.9 Cg_endo -69.78 -163.89 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -115.06 -39.23 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.92 -18.78 36.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -114.66 17.31 17.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 t -100.28 -31.65 11.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -91.52 11.54 23.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.5 m -107.78 -17.13 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.36 89.79 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 113' ' ' HIS . 5.2 mm-40 -120.92 96.28 5.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 111' ' ' GLU . 12.2 ptmm? 35.19 31.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 111' ' ' GLU . 3.3 t-160 -51.63 -53.59 36.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.808 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -60.83 133.73 56.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.9 t -68.76 130.25 42.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 138.49 148.34 5.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 167.28 24.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.337 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.0 p -37.02 -47.78 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.4 t -70.28 -54.76 11.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.7 m -134.02 92.81 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.3 p -67.64 -49.13 64.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.86 113.22 1.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -134.77 154.77 51.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -123.34 150.06 44.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.97 -76.47 0.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -37.46 124.51 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 19' ' ' ILE . 48.4 t-80 -96.7 170.03 9.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.414 ' N ' ' CG ' ' A' ' 18' ' ' HIS . 76.8 mt -46.14 112.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.8 t -133.27 134.5 24.13 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.624 0.726 . . . . 0.0 111.1 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -47.92 122.93 7.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.0 m -71.84 173.06 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -56.55 -48.07 78.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.449 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 20.7 mt-30 -71.78 -38.38 70.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -65.31 173.83 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -165.35 150.47 9.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.7 mt -91.44 135.15 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.413 ' CG2' HG21 ' A' ' 41' ' ' VAL . 17.6 m -141.49 162.39 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . 26.1 ttp180 -109.0 138.01 46.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 31' ' ' LEU . 92.5 t -71.87 150.66 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' CD1' ' HD3' ' A' ' 48' ' ' ARG . 43.8 mt -125.04 -61.83 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -150.82 177.54 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.533 HG22 ' CE1' ' A' ' 39' ' ' HIS . 3.0 m -146.62 120.87 5.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.525 0.679 . . . . 0.0 111.139 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -5.94 17.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.23 . . . . 0.0 112.332 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.73 -47.14 1.07 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -56.59 -174.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -81.5 40.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.6 mt -132.54 167.7 19.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.585 ' CE1' ' CD1' ' A' ' 63' ' ' ILE . 61.9 m-70 -153.28 140.82 19.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -95.37 103.1 14.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.413 HG21 ' CG2' ' A' ' 28' ' ' VAL . 33.7 m -108.03 169.16 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -133.32 146.87 51.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.0 p -89.02 175.03 7.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.29 -20.12 61.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -91.31 24.06 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.6 62.63 5.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -136.27 105.58 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 39.0 mtt85 -85.85 142.92 28.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 24.2 p90 -167.17 173.14 9.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.28 156.86 17.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.6 m -136.85 151.31 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.14 162.37 13.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.9 tpt -95.87 131.47 29.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.546 0.689 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.536 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 66.1 Cg_exo -48.02 160.65 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.4 t -83.17 -15.99 48.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.537 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 14.7 pttm -93.47 -15.43 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.537 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.4 m-30 -93.64 23.33 4.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -57.99 79.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 57' ' ' TYR . 36.5 mttt -166.15 -176.43 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -99.19 84.43 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.47 HG21 ' N ' ' A' ' 62' ' ' TRP . 22.7 mt -79.82 136.93 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.578 ' CZ2' ' NZ ' ' A' ' 64' ' ' LYS . 7.4 t90 -74.81 86.97 2.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.585 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 72.8 mt -95.99 140.54 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.578 ' NZ ' ' CZ2' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -138.02 -177.36 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -82.57 143.31 31.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.81 -41.3 2.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -43.01 119.81 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 29' ' ' ARG . 30.9 m-85 -88.68 130.22 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.6 mt -130.39 170.0 14.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 85' ' ' SER . 70.3 mt -109.72 114.29 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 m -109.24 151.93 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 32.9 t70 -119.29 133.13 23.76 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.605 0.717 . . . . 0.0 110.842 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.449 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 54.0 Cg_endo -69.75 148.09 64.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.0 mt -119.98 154.35 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.73 171.75 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -37.2 110.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.03 -133.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.67 -174.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.947 0.403 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 19.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 87.8 t -100.18 137.73 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.443 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 8.7 mmpt? -82.09 -48.12 11.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 72' ' ' ASP . . . -151.22 174.78 12.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -129.85 139.54 51.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.451 HG23 ' N ' ' A' ' 85' ' ' SER . 62.7 mt -46.49 157.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.062 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.547 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 40.3 m -129.62 -41.06 1.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 85' ' ' SER . 89.4 m-85 -163.05 166.13 23.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 69.6 t -106.81 108.46 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.415 HD23 ' ND1' ' A' ' 92' ' ' HIS . 13.2 mt -74.7 133.25 42.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 82.2 m -103.68 170.12 8.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -44.08 -44.45 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.47 -61.6 1.91 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.415 ' ND1' HD23 ' A' ' 88' ' ' LEU . 3.2 t-160 -38.55 -58.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 92' ' ' HIS . 99.4 t -36.48 -53.37 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -54.67 -58.14 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.6 m -40.57 -60.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.8 mt -53.11 -41.01 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -63.29 -44.15 95.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -67.92 -37.02 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -67.87 -28.56 67.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.67 39.0 4.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 102' ' ' TRP . 75.1 m-85 -119.7 -48.13 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.523 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 61.2 t-105 -36.86 139.47 0.47 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.543 0.687 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.8 148.06 63.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.226 . . . . 0.0 112.35 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -70.44 -45.27 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -48.48 -28.9 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.42 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 7.1 m-30 -104.83 -27.79 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.0 t -48.31 -29.25 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -90.15 24.54 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 106' ' ' PHE . 62.9 t -116.37 -40.82 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -93.17 41.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -124.47 110.16 14.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.2 pttp 40.51 33.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -90.43 93.9 9.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -113.08 108.37 17.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.4 m -145.15 155.04 43.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 155.0 -158.57 28.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 2.53 3.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.383 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.2 t 62.59 45.55 6.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.5 t -65.31 -60.91 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' GLY . 3.5 m -37.39 -50.83 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.832 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.6 t -87.06 116.78 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.24 117.01 5.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.7 t -93.51 86.05 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.378 . . . . 0.0 110.848 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -161.57 134.08 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.05 -125.43 1.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -39.37 147.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 19' ' ' ILE . 54.0 t-80 -146.05 162.73 37.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' HIS . 94.3 mt -35.51 110.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.4 t -130.09 131.17 23.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.429 ' HG3' ' CD1' ' A' ' 70' ' ' ILE . 65.4 Cg_exo -47.95 119.33 3.78 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -63.02 162.72 10.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -49.52 -40.47 37.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -79.17 -37.86 37.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.413 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 16.1 mt-30 -61.74 165.39 5.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -158.34 145.79 18.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.972 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.9 mt -87.23 134.99 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.45 HG23 ' CG2' ' A' ' 41' ' ' VAL . 19.2 m -139.8 176.85 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -123.67 133.18 53.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.429 HG11 ' N ' ' A' ' 31' ' ' LEU . 76.6 t -66.86 155.82 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.429 ' N ' HG11 ' A' ' 30' ' ' VAL . 16.2 mt -130.68 -54.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.6 ttp85 -162.66 145.54 10.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.6 m -119.81 120.67 30.29 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.545 0.688 . . . . 0.0 111.151 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -1.69 8.89 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.83 -46.76 1.14 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -54.7 -174.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -81.08 40.7 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.6 mt -133.5 162.78 30.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.511 ' CE1' HD13 ' A' ' 63' ' ' ILE . 58.5 m-70 -149.63 138.48 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -98.26 114.7 27.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.45 ' CG2' HG23 ' A' ' 28' ' ' VAL . 19.4 m -126.06 174.29 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -134.82 150.67 50.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 p -93.29 -179.38 5.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.66 -23.9 62.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.141 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -90.12 23.99 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.29 62.04 6.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -131.46 105.07 7.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.0 mtt180 -83.36 145.82 28.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -169.26 175.82 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.5 mt -107.26 156.0 19.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.8 m -137.82 146.53 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 t -94.92 159.89 14.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.426 ' SD ' ' CD1' ' A' ' 84' ' ' ILE . 5.1 tpt -96.94 130.79 29.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.57 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 Cg_exo -47.99 163.51 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.5 p -83.32 -21.25 33.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.571 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 12.8 pttt -84.75 -25.22 28.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.571 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 15.6 m-30 -89.66 37.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 2.1 tmt_? -69.15 75.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 58' ' ' ARG . 5.1 mtmt -159.66 -175.0 4.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.98 79.38 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 62' ' ' TRP . 24.1 mt -69.89 141.54 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.43 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 21.4 t90 -79.14 87.24 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.954 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.511 HD13 ' CE1' ' A' ' 39' ' ' HIS . 50.4 mt -110.72 111.73 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 5.3 mtmp? -114.61 -178.87 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 66' ' ' GLY . 31.3 tpt85 -68.16 146.68 53.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 65' ' ' ARG . . . 83.49 -34.64 2.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.555 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -50.02 120.2 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -88.35 138.08 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 18.2 mt -141.0 163.98 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.429 ' CD1' ' HG3' ' A' ' 21' ' ' PRO . 66.9 mt -104.65 125.85 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.1 m -119.43 156.44 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.78 133.76 24.85 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.57 0.7 . . . . 0.0 110.89 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 148.9 65.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.621 2.214 . . . . 0.0 112.349 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.45 ' CD1' ' HG3' ' A' ' 83' ' ' GLU . 7.1 mt -118.19 155.06 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -76.26 179.83 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -41.91 98.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.44 -121.25 1.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -74.95 -174.96 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 20.32 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.2 t -100.17 140.15 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.453 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 6.4 mmpt? -79.66 -51.54 9.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -147.44 179.06 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.12 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.45 ' HG3' ' CD1' ' A' ' 74' ' ' ILE . 27.2 mt-10 -135.21 139.15 44.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.426 ' CD1' ' SD ' ' A' ' 53' ' ' MET . 67.2 mt -50.21 151.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ILE . 14.1 m -124.85 -43.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -153.33 161.51 42.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.6 t -105.93 107.04 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.93 157.51 38.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 99.2 m -137.71 176.56 8.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -49.02 -43.44 40.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 92' ' ' HIS . 40.9 m-20 -68.28 -64.21 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t-160 -36.72 -58.37 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.561 HG22 ' CH2' ' A' ' 102' ' ' TRP . 70.7 t -42.4 -40.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 91' ' ' ASP . 8.6 mmm180 -59.56 -49.27 78.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.4 t -55.86 -64.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 71.6 mt -45.18 -43.34 9.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -58.86 -51.9 68.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -61.89 -45.84 91.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -59.33 -26.81 65.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.24 41.87 4.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -120.25 -42.04 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.561 ' CH2' HG22 ' A' ' 93' ' ' VAL . 54.0 t-105 -42.64 139.42 2.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.53 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.5 Cg_endo -69.77 -178.84 2.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -101.75 -46.37 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.56 -34.8 38.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -102.69 24.44 10.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -103.73 -34.27 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -86.99 23.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.3 m -120.06 -17.37 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.164 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.56 77.03 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 112' ' ' LYS . 31.6 tt0 -129.69 132.24 46.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 111' ' ' GLU . 7.7 mmmm 35.78 46.75 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -87.13 87.91 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -79.15 107.18 11.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 76.4 p -130.74 124.56 31.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.47 146.18 20.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 112.37 3.06 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.1 m -80.83 143.18 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.9 t -62.08 116.72 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 m 40.29 45.13 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.7 m -62.06 132.35 52.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.78 85.71 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t -130.39 151.55 50.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 110.893 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.7 p -51.43 116.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.7 153.2 10.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -53.22 -48.33 68.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -115.78 166.61 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.3 mt -50.1 117.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t -129.06 130.84 23.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 0.0 111.128 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.468 ' CD ' HD23 ' A' ' 96' ' ' LEU . 65.0 Cg_exo -47.95 125.62 11.81 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m -76.03 174.65 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -55.84 -46.69 78.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.437 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 9.7 mt-30 -75.17 -43.99 49.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.453 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 55.1 mt-30 -64.26 148.35 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -143.87 152.33 41.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.7 mt -87.3 139.04 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.402 HG22 ' CG2' ' A' ' 41' ' ' VAL . 35.0 m -147.12 155.58 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.467 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 17.5 ttt180 -105.35 125.77 51.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 31' ' ' LEU . 20.9 t -62.87 147.71 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.46 ' N ' HG12 ' A' ' 30' ' ' VAL . 27.7 mt -118.72 -61.27 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -150.38 168.52 23.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.4 m -137.49 119.93 11.24 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.104 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -9.63 26.58 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 109.42 -41.98 2.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -57.06 -174.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -81.2 40.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.0 mt -135.94 163.08 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.559 ' CE1' HD13 ' A' ' 63' ' ' ILE . 36.9 m-70 -145.48 134.64 22.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -94.84 116.38 28.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.402 ' CG2' HG22 ' A' ' 28' ' ' VAL . 23.5 m -125.7 171.41 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -128.78 148.04 50.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 p -95.19 173.75 7.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.171 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.26 -24.77 66.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -88.89 24.96 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.12 55.51 28.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -124.58 109.22 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -88.34 135.64 33.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -160.99 179.93 8.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 mt -112.35 157.8 20.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.429 ' CG2' ' HB2' ' A' ' 39' ' ' HIS . 30.3 m -130.94 148.57 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -93.43 159.79 15.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 5.6 tpt -101.04 121.57 51.71 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.555 0.693 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.496 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.2 Cg_exo -47.96 144.63 11.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.9 m -67.48 -28.64 68.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.517 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 3.7 pttm -78.1 -18.2 55.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.5 m-30 -93.35 33.06 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 80.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -174.98 135.17 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -57.38 90.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.48 150.8 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.466 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 24.5 t90 -78.36 94.79 4.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.559 HD13 ' CE1' ' A' ' 39' ' ' HIS . 63.7 mt -123.31 105.48 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.466 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 7.1 mtmp? -109.22 -179.54 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.42 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -78.77 146.89 33.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.467 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 87.13 -18.61 35.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.443 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.74 131.9 41.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.463 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 49.2 m-85 -88.35 146.35 25.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 68' ' ' PHE . 10.4 mt -148.24 163.96 35.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.453 ' CG2' ' HB3' ' A' ' 25' ' ' GLN . 90.9 mt -107.4 111.12 34.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 32.6 m -96.66 160.13 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 1.5 p30 -121.13 116.48 31.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.718 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.437 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 53.4 Cg_endo -69.84 138.96 38.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.418 HD13 ' CD ' ' A' ' 83' ' ' GLU . 7.5 mt -117.97 164.57 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -71.15 -177.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -52.99 107.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.06 -122.93 1.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -66.39 -174.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -79.6 13.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 81' ' ' LYS . 59.0 t -100.42 141.97 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.44 ' N ' HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -87.15 -40.15 14.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.426 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -152.38 176.16 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.418 ' CD ' HD13 ' A' ' 74' ' ' ILE . 45.7 mt-10 -129.62 141.18 50.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 89.3 mt -53.77 135.18 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.7 m -107.21 -50.42 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -152.65 170.7 19.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 95.0 t -109.61 108.0 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 66.5 mt -66.68 143.24 57.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.7 t -110.88 171.39 7.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -50.32 -47.13 55.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -66.78 -49.29 66.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -45.06 -54.01 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.565 HG21 ' CH2' ' A' ' 102' ' ' TRP . 89.5 t -51.76 -27.4 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -75.81 -44.92 38.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' LEU . 74.5 m -58.47 -66.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.468 HD23 ' CD ' ' A' ' 21' ' ' PRO . 46.3 mt -36.97 -47.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -49.53 -55.86 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -48.84 -59.46 3.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -58.97 -21.26 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 88.26 34.47 9.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -103.63 -14.52 16.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TRP . . . . . 0.565 ' CH2' HG21 ' A' ' 93' ' ' VAL . 61.9 t-105 -76.81 136.84 66.59 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.516 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.75 158.8 55.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -77.16 -44.34 30.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -49.94 -31.87 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PHE . . . . . 0.443 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 8.0 m-30 -101.19 -15.56 17.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.0 t -60.41 -26.45 66.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -90.52 20.09 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.05 -41.98 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.51 -60.98 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -47.33 153.2 0.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt 39.69 48.38 1.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -131.9 -53.04 0.99 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -102.17 117.9 35.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.8 m -85.83 154.45 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -168.42 -177.67 39.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.1 Cg_endo -69.76 0.43 5.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.224 . . . . 0.0 112.299 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 117' ' ' PRO . 36.2 m -35.96 131.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.7 p -112.56 -175.45 2.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.838 0.351 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.63 HG13 ' HD2' ' A' ' 21' ' ' PRO . 97.7 t -121.97 139.74 30.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.63 ' HD2' HG13 ' A' ' 20' ' ' VAL . 65.2 Cg_exo -47.95 122.67 7.53 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.734 2.289 . . . . 0.0 112.312 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -68.28 -176.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -65.34 -44.52 87.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -83.4 -36.18 24.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -60.72 159.92 10.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -154.68 152.35 29.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.528 ' CD1' HD13 ' A' ' 96' ' ' LEU . 85.7 mt -95.32 129.45 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.996 HG21 HG21 ' A' ' 41' ' ' VAL . 34.5 m -133.26 176.52 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.436 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 15.5 ttp180 -122.96 133.76 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 67' ' ' ASP . 89.8 t -70.75 152.27 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 30' ' ' VAL . 11.9 mt -126.54 -50.32 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 32' ' ' ARG . 7.5 ttm105 -165.88 159.54 16.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.631 HG22 ' H ' ' A' ' 35' ' ' GLY . 7.3 m -131.5 123.05 19.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -8.25 23.13 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.702 2.268 . . . . 0.0 112.312 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.631 ' H ' HG22 ' A' ' 33' ' ' THR . . . 112.77 -46.3 1.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -52.17 -174.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -81.7 40.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 52' ' ' SER . 41.4 mt -137.67 164.83 27.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.646 ' O ' HG22 ' A' ' 51' ' ' VAL . 33.4 m-70 -150.19 140.7 22.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -93.8 125.96 38.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.996 HG21 HG21 ' A' ' 28' ' ' VAL . 14.1 m -129.98 176.22 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -138.26 142.05 39.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.3 p -86.89 173.91 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.605 ' O ' ' HB2' ' A' ' 105' ' ' ALA . . . -69.35 -21.21 63.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -91.21 24.88 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.66 63.86 4.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.527 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -134.69 107.92 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -84.42 140.06 31.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.597 ' CZ ' ' CG2' ' A' ' 41' ' ' VAL . 34.0 p90 -163.7 178.84 7.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -113.0 156.13 23.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.701 HG11 HG11 ' A' ' 71' ' ' VAL . 27.1 m -133.18 155.42 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.717 ' HA ' HD23 ' A' ' 38' ' ' LEU . 1.3 t -101.11 160.58 14.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.8 tpt -95.96 130.14 32.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.704 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.6 Cg_exo -47.97 139.35 20.23 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.1 p -68.83 -10.16 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.584 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 10.0 pttt -93.48 -26.15 17.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.584 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 13.2 m-30 -87.2 29.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -58.4 79.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 57' ' ' TYR . 16.8 pttm -170.85 179.06 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -90.35 86.83 6.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mt -81.44 146.83 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -78.51 104.48 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.7 mt -124.95 136.47 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -130.46 178.59 6.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -80.48 141.01 35.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.55 -26.28 8.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 30' ' ' VAL . 14.0 t0 -50.07 126.53 14.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.436 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 50.5 m-85 -88.32 124.57 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 87' ' ' VAL . 14.1 mt -129.52 163.86 25.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 85' ' ' SER . 77.3 mt -104.52 111.83 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.701 HG11 HG11 ' A' ' 51' ' ' VAL . 11.7 m -108.67 154.22 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.614 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 27.6 t70 -124.16 135.28 26.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.544 0.688 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 147.24 62.46 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.956 HD11 ' HG3' ' A' ' 83' ' ' GLU . 8.6 mt -116.68 157.01 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 pm0 -64.46 -177.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -57.79 91.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.16 -119.8 2.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -70.99 -174.83 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.918 0.39 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -83.12 20.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.453 HG11 ' HB2' ' A' ' 52' ' ' SER . 59.1 t -100.27 140.98 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.476 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 10.7 mmpt? -78.5 -58.29 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.614 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -143.91 179.22 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.956 ' HG3' HD11 ' A' ' 74' ' ' ILE . 7.0 mt-10 -129.72 140.55 51.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mt -53.12 143.44 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 70' ' ' ILE . 50.2 m -113.46 -46.35 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -156.58 166.07 34.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.513 ' HA ' HD22 ' A' ' 69' ' ' LEU . 87.8 t -106.99 107.89 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.8 mt -70.25 138.85 51.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 90' ' ' LYS . 91.2 m -109.98 160.72 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 94' ' ' ARG . 33.7 ttpt -36.84 -39.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.44 -62.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -38.63 -63.66 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.84 HG13 ' CZ3' ' A' ' 102' ' ' TRP . 98.2 t -37.21 -56.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.41 ' CD ' ' O ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -54.22 -45.77 72.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.7 m -53.03 -57.3 10.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.528 HD13 ' CD1' ' A' ' 27' ' ' ILE . 71.0 mt -52.2 -38.5 58.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -61.03 -42.5 98.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -71.18 -45.85 62.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.47 -23.1 65.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.68 51.5 2.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -130.58 -40.75 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.84 ' CZ3' HG13 ' A' ' 93' ' ' VAL . 61.2 t-105 -44.41 139.48 3.38 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.551 0.691 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.521 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.9 Cg_endo -69.74 162.86 40.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -85.33 -44.67 12.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 44' ' ' ALA . . . -48.36 -26.96 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -103.08 -33.12 9.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 t -41.11 -34.34 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.3 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.547 HG13 ' HD2' ' A' ' 21' ' ' PRO . 91.8 t -139.74 136.46 17.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 111.128 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.65 ' CG ' HD11 ' A' ' 27' ' ' ILE . 64.9 Cg_exo -47.96 121.79 6.38 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 m -73.68 176.6 6.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -57.45 -53.07 62.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.431 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 8.5 pt20 -75.08 -37.67 61.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 11.5 mt-30 -69.42 142.07 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -133.99 157.86 44.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.65 HD11 ' CG ' ' A' ' 21' ' ' PRO . 83.4 mt -96.13 122.49 47.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.884 HG21 HG21 ' A' ' 41' ' ' VAL . 17.0 m -127.35 178.72 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.484 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . 26.5 ttp180 -124.34 132.64 53.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 67' ' ' ASP . 46.2 t -65.08 152.03 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.68 HD12 ' HG2' ' A' ' 40' ' ' GLU . 33.8 mt -127.55 -60.9 1.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -161.28 130.73 4.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.775 HG22 ' H ' ' A' ' 35' ' ' GLY . 32.0 m -103.1 121.45 48.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.56 0.695 . . . . 0.0 111.161 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -0.3 6.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.775 ' H ' HG22 ' A' ' 33' ' ' THR . . . 101.01 -46.01 1.35 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -51.83 -174.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -81.29 40.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.664 HD23 ' HA ' ' A' ' 52' ' ' SER . 40.3 mt -137.29 168.06 20.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.433 ' NE2' HD12 ' A' ' 63' ' ' ILE . 53.1 m80 -150.84 134.46 16.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.68 ' HG2' HD12 ' A' ' 31' ' ' LEU . 31.4 tt0 -92.61 113.24 25.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.884 HG21 HG21 ' A' ' 28' ' ' VAL . 33.8 m -120.35 173.08 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HB3' HD11 ' A' ' 31' ' ' LEU . 6.9 pt-20 -137.05 147.54 46.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.9 p -90.08 -179.5 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.516 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . . . -74.58 -23.56 58.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -88.7 24.04 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.87 62.88 5.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -133.99 104.05 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.446 ' HD3' HD13 ' A' ' 31' ' ' LEU . 47.5 mtt180 -81.99 144.42 30.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.692 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 32.6 p90 -165.5 179.46 6.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -117.84 156.82 27.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.743 HG11 HG11 ' A' ' 71' ' ' VAL . 33.1 m -136.89 158.2 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.664 ' HA ' HD23 ' A' ' 38' ' ' LEU . 5.5 t -99.56 162.23 13.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.772 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.3 tpt -99.97 130.85 25.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.2 Cg_exo -47.94 158.35 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 t -77.01 -28.1 54.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 18.1 pttt -81.87 -21.85 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 10.9 m-30 -86.61 32.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -66.32 79.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -175.12 149.49 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -66.9 88.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.3 mt -77.03 150.7 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.498 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 25.9 t90 -78.83 88.77 4.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.433 HD12 ' NE2' ' A' ' 39' ' ' HIS . 65.0 mt -117.62 110.34 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 28.2 mtmt -114.07 169.99 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -68.3 146.68 53.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.58 -38.02 3.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.737 ' O ' HG23 ' A' ' 30' ' ' VAL . 5.9 m-20 -56.12 131.54 47.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.782 ' O ' HD23 ' A' ' 69' ' ' LEU . 60.8 m-85 -90.54 139.78 30.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 68' ' ' PHE . 13.4 mt -139.87 168.61 19.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 25' ' ' GLN . 96.2 mt -111.54 111.6 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.743 HG11 HG11 ' A' ' 51' ' ' VAL . 28.9 m -102.88 157.66 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.617 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -119.71 128.63 25.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.431 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 54.3 Cg_endo -69.73 143.75 51.96 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.956 HD11 ' CG ' ' A' ' 83' ' ' GLU . 9.5 mt -117.1 154.57 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -75.28 178.41 5.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.89 111.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.89 -128.16 0.93 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.77 -174.75 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -83.37 21.29 1.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.442 ' C ' ' HE2' ' A' ' 81' ' ' LYS . 43.1 t -100.24 136.66 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.476 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 9.9 mmpt? -76.04 -56.76 4.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.617 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -143.44 -176.82 5.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.064 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.956 ' CG ' HD11 ' A' ' 74' ' ' ILE . 16.3 mt-10 -133.24 137.08 45.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.772 HD12 ' SD ' ' A' ' 53' ' ' MET . 61.1 mt -52.33 142.78 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.5 m -116.37 -45.52 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -154.74 168.71 25.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.551 ' HA ' HD22 ' A' ' 69' ' ' LEU . 92.3 t -110.67 123.36 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.87 159.72 18.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.419 ' O ' HG23 ' A' ' 93' ' ' VAL . 15.4 m -134.43 176.6 8.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 mtmm -51.66 -42.13 61.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 94' ' ' ARG . 55.8 m-20 -70.28 -61.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.2 t-160 -37.45 -54.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.711 HG22 ' CZ3' ' A' ' 102' ' ' TRP . 77.6 t -47.12 -41.28 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 91' ' ' ASP . 33.8 mmm-85 -54.0 -56.22 19.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.6 m -51.33 -67.66 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.7 mt -45.32 -44.13 11.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -60.06 -32.64 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -77.29 -39.34 48.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.72 -24.95 65.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.5 31.67 7.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -107.74 -41.75 4.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.711 ' CZ3' HG22 ' A' ' 93' ' ' VAL . 61.3 t-105 -45.21 139.46 4.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.538 0.685 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.581 ' HG2' ' CD2' ' A' ' 106' ' ' PHE . 53.7 Cg_endo -69.79 155.61 65.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 106' ' ' PHE . 35.5 tt0 -73.45 -57.9 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -38.76 -28.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.581 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 3.4 m-30 -101.51 -30.56 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 104' ' ' GLU . 7.2 t -48.65 -28.14 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.809 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 68.7 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.876 0.369 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.478 HG13 ' HD2' ' A' ' 21' ' ' PRO . 79.3 t -138.3 135.93 18.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.152 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.492 ' HG2' HD11 ' A' ' 27' ' ' ILE . 64.9 Cg_exo -47.93 132.81 22.59 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.716 2.277 . . . . 0.0 112.356 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.438 ' CB ' ' OE1' ' A' ' 25' ' ' GLN . 14.2 t -79.28 174.63 11.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -59.6 -45.59 91.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -77.04 -44.49 30.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.438 ' OE1' ' CB ' ' A' ' 22' ' ' SER . 15.1 mt-30 -57.21 169.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -161.28 148.44 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.492 HD11 ' HG2' ' A' ' 21' ' ' PRO . 66.6 mt -90.22 131.17 38.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 43' ' ' THR . 8.8 m -136.32 176.76 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -124.0 130.98 53.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.592 ' HA ' HG12 ' A' ' 41' ' ' VAL . 53.2 t -66.92 146.62 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' A' ' 42' ' ' GLU . 25.5 mt -117.94 -49.92 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -167.21 156.98 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 38' ' ' LEU . 2.4 m -127.4 119.17 21.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 0.0 111.165 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.37 5.76 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.47 -49.36 0.9 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -53.49 -174.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -81.18 40.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 33' ' ' THR . 49.8 mt -132.99 163.56 28.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.665 ' O ' HG22 ' A' ' 51' ' ' VAL . 56.5 m80 -151.81 122.91 7.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -79.84 104.76 10.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.762 HG23 ' CZ ' ' A' ' 49' ' ' PHE . 18.1 m -109.71 172.92 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' A' ' 31' ' ' LEU . 13.8 pt-20 -135.35 149.63 49.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.488 ' HA ' HG12 ' A' ' 28' ' ' VAL . 24.5 p -92.27 -178.25 4.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.59 -27.21 60.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -87.98 26.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.9 67.86 1.99 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -136.3 110.53 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.914 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -83.61 141.07 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.762 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 24.7 p90 -164.51 167.95 18.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -105.86 148.85 27.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 39' ' ' HIS . 27.5 m -130.02 155.81 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -101.07 159.9 14.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.747 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.6 tpt -97.5 129.26 32.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.575 0.702 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.56 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.2 Cg_exo -47.96 160.09 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 m -74.04 -47.58 35.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.549 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 2.0 pttm -60.64 -26.02 66.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 13.0 m-30 -87.98 32.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 10.2 ttp-105 -66.59 77.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 59' ' ' LYS . 6.2 mtpm? -162.46 -177.78 5.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -100.07 78.01 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.469 HD12 ' CE ' ' A' ' 53' ' ' MET . 21.9 mt -69.54 139.13 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.437 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 23.4 t90 -76.02 86.99 2.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.419 HG13 HG22 ' A' ' 61' ' ' ILE . 51.4 mt -110.51 111.82 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.095 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.437 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 5.2 mtmp? -112.07 178.55 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 1.9 tmt_? -71.36 138.0 48.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.09 -28.04 17.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.456 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.7 t0 -61.39 122.99 16.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.636 ' O ' HD23 ' A' ' 69' ' ' LEU . 14.8 m-85 -88.71 132.88 34.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 68' ' ' PHE . 10.9 mt -137.58 159.36 42.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 85' ' ' SER . 81.4 mt -100.56 115.44 41.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 84' ' ' ILE . 5.4 m -111.67 157.59 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.078 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.436 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 23.5 t0 -127.43 134.24 25.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.658 0.742 . . . . 0.0 110.861 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 150.73 68.64 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.868 HD11 ' HG3' ' A' ' 83' ' ' GLU . 9.8 mt -119.76 155.8 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -74.97 -177.97 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -39.02 116.0 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.54 -139.93 2.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.08 -174.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -83.91 23.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.9 t -99.92 140.83 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.458 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 6.0 mmpt? -83.06 -54.62 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.436 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -145.22 -177.7 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.868 ' HG3' HD11 ' A' ' 74' ' ' ILE . 52.3 mt-10 -138.92 141.28 38.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.747 HD12 ' SD ' ' A' ' 53' ' ' MET . 40.2 mt -51.95 153.48 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.423 ' N ' HG22 ' A' ' 84' ' ' ILE . 68.5 m -125.15 -43.27 1.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -157.07 154.89 30.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.601 ' HA ' HD22 ' A' ' 69' ' ' LEU . 90.0 t -97.47 103.92 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.6 140.38 56.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 90' ' ' LYS . 27.4 p -120.74 168.12 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 89' ' ' CYS . 42.5 mtmt -36.61 -65.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 92' ' ' HIS . 1.2 m-20 -50.05 -63.11 1.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 93' ' ' VAL . 2.3 t-160 -36.76 -66.14 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' HIS . 88.5 t -34.61 -60.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.99 -46.13 16.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.3 m -54.1 -65.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 65.2 mt -46.99 -40.99 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -59.88 -47.07 87.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -66.03 -42.4 89.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.5 -25.11 67.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.58 42.53 4.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -122.25 -39.92 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.525 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 56.7 t-105 -43.29 139.26 2.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.563 0.697 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.9 Cg_endo -69.75 170.37 16.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.49 -37.3 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.28 -40.37 74.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -100.01 26.31 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -101.01 -40.76 7.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.894 0.378 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t -130.27 130.41 23.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.737 . . . . 0.0 111.152 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.421 ' HD3' HD21 ' A' ' 96' ' ' LEU . 64.7 Cg_exo -47.99 119.77 4.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.233 . . . . 0.0 112.397 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -66.04 178.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.797 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -62.33 -47.49 84.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -78.89 -31.21 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -68.54 146.54 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -139.44 154.44 47.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.409 HD11 HD13 ' A' ' 96' ' ' LEU . 68.6 mt -92.64 127.73 44.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.402 HG21 HG21 ' A' ' 41' ' ' VAL . 15.6 m -133.15 177.89 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.427 ' NH2' ' NH2' ' A' ' 65' ' ' ARG . 28.3 ttt180 -124.21 137.79 54.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 67' ' ' ASP . 12.8 t -75.11 152.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 mt -125.75 -55.28 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.9 mtm-85 -154.93 177.96 10.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.498 HG22 ' H ' ' A' ' 35' ' ' GLY . 4.0 m -149.98 118.38 3.68 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.578 0.704 . . . . 0.0 111.128 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -7.89 22.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.498 ' H ' HG22 ' A' ' 33' ' ' THR . . . 109.37 -39.73 2.8 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -60.49 -174.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.43 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 1.4 p-10 -80.89 40.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 37' ' ' ASN . 46.2 mt -136.12 161.82 34.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.645 ' O ' HG22 ' A' ' 51' ' ' VAL . 48.2 m80 -149.99 129.76 13.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.445 ' OE2' ' C ' ' A' ' 49' ' ' PHE . 3.3 tp10 -85.07 115.69 23.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 30' ' ' VAL . 21.2 m -120.98 172.55 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.15 151.96 51.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.2 p -98.55 173.04 7.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.124 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.83 -26.04 68.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -90.89 24.57 2.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.63 44.48 96.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -110.4 103.3 11.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -85.27 144.13 28.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.593 ' CE1' HG23 ' A' ' 41' ' ' VAL . 12.9 p90 -166.62 -176.51 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.438 HD21 ' OE1' ' A' ' 40' ' ' GLU . 19.4 mt -114.35 152.46 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.698 HG11 HG11 ' A' ' 71' ' ' VAL . 17.4 m -132.29 144.1 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -93.98 158.57 15.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.798 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.8 tpt -95.96 132.42 27.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.573 0.702 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.548 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.4 Cg_exo -47.95 167.56 0.1 OUTLIER 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.8 p -83.78 -34.35 24.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.565 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.1 pttm -76.07 -16.5 59.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.8 m-30 -94.19 23.76 4.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.34 79.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 57' ' ' TYR . 15.9 tptt -175.07 134.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -56.13 92.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.5 mt -81.55 146.38 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -75.46 102.2 5.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.467 HD12 ' NE2' ' A' ' 39' ' ' HIS . 39.3 mt -122.62 138.09 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' CE ' ' O ' ' A' ' 63' ' ' ILE . 9.2 mmpt? -132.74 164.44 26.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.427 ' NH2' ' NH2' ' A' ' 29' ' ' ARG . 1.9 tmt_? -66.75 151.81 46.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.53 -31.73 3.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.707 ' O ' HG23 ' A' ' 30' ' ' VAL . 6.0 t0 -55.81 125.72 22.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 106' ' ' PHE . 66.6 m-85 -88.66 123.48 33.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.623 HD22 ' HA ' ' A' ' 87' ' ' VAL . 13.8 mt -129.0 160.34 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.5 mt -99.19 122.77 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.698 HG11 HG11 ' A' ' 51' ' ' VAL . 33.0 m -115.68 152.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.473 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 9.5 t0 -119.74 129.16 25.5 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.645 0.736 . . . . 0.0 110.824 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.15 67.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.706 2.271 . . . . 0.0 112.301 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.94 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.8 mt -121.7 152.58 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.16 -178.55 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -40.24 118.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -169.07 -135.25 1.86 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -62.83 -174.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -83.11 22.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.02 145.37 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -88.24 -54.51 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.473 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -143.8 179.03 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.067 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.94 ' HG3' HD11 ' A' ' 74' ' ' ILE . 50.9 mt-10 -134.18 137.39 44.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.798 HD12 ' SD ' ' A' ' 53' ' ' MET . 50.6 mt -51.12 139.7 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.456 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 37.2 m -114.09 -42.1 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.456 ' CG ' ' O ' ' A' ' 85' ' ' SER . 91.3 m-85 -160.16 161.23 33.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.623 ' HA ' HD22 ' A' ' 69' ' ' LEU . 46.8 t -103.31 118.44 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 23.2 mt -76.57 144.07 39.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 90' ' ' LYS . 5.5 t -118.43 160.25 22.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 89' ' ' CYS . 0.1 OUTLIER -35.17 -46.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 94' ' ' ARG . 1.1 t0 -68.55 -57.64 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.3 t-160 -37.43 -55.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.438 HG22 ' CZ3' ' A' ' 102' ' ' TRP . 77.2 t -49.74 -40.27 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 91' ' ' ASP . 20.6 mmt180 -53.97 -50.13 67.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 98' ' ' LYS . 51.0 m -59.29 -68.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.421 HD21 ' HD3' ' A' ' 21' ' ' PRO . 78.8 mt -38.28 -39.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -64.83 -43.17 93.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 95' ' ' SER . 2.0 mtpm? -72.41 -38.25 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.8 -25.42 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.75 37.09 6.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.497 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -115.98 -35.86 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.527 ' CD2' ' HD2' ' A' ' 103' ' ' PRO . 59.3 t-105 -49.56 139.35 15.38 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.524 0.678 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.527 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.4 Cg_endo -69.84 -165.09 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -113.75 -42.54 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.13 -26.59 60.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.542 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 6.1 m-85 -106.49 15.88 25.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -98.99 -30.21 12.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.509 ' HB ' ' CE1' ' A' ' 92' ' ' HIS . 90.9 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.859 0.362 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.9 t -140.45 131.91 14.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.443 ' HG2' HD11 ' A' ' 27' ' ' ILE . 64.9 Cg_exo -47.97 123.75 9.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.9 p -63.31 -177.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -61.41 -51.19 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -73.69 -40.56 63.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -55.65 166.36 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -159.72 146.84 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.443 HD11 ' HG2' ' A' ' 21' ' ' PRO . 91.4 mt -88.75 129.77 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.862 HG21 HG21 ' A' ' 41' ' ' VAL . 19.6 m -136.93 166.45 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.539 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 17.6 ttp180 -111.82 140.22 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 67' ' ' ASP . 64.9 t -73.38 149.11 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.404 HD13 ' HD3' ' A' ' 48' ' ' ARG . 19.5 mt -124.02 -60.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -142.92 170.18 16.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.523 HG22 ' H ' ' A' ' 35' ' ' GLY . 7.7 m -145.47 111.01 4.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 3.13 2.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.299 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.523 ' H ' HG22 ' A' ' 33' ' ' THR . . . 95.87 -45.61 1.96 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -54.34 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 2.1 p-10 -81.21 40.8 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.4 mt -132.08 163.51 28.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.604 ' O ' HG22 ' A' ' 51' ' ' VAL . 67.4 m80 -151.92 125.28 8.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -84.58 108.89 17.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.862 HG21 HG21 ' A' ' 28' ' ' VAL . 28.8 m -118.77 171.22 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -135.58 152.02 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.6 p -92.82 -178.12 4.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.592 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . . . -75.22 -24.26 57.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -87.67 23.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.7 67.51 2.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -139.09 106.18 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.404 ' HD3' HD13 ' A' ' 31' ' ' LEU . 40.6 mtt180 -83.74 148.64 26.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.487 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 27.5 p90 -172.08 175.03 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -109.69 152.33 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.688 HG11 HG11 ' A' ' 71' ' ' VAL . 34.8 m -135.35 152.72 32.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -99.84 165.04 11.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.822 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.9 tpt -96.71 133.2 24.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.537 0.684 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.548 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 Cg_exo -47.97 164.69 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.644 2.23 . . . . 0.0 112.361 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.7 m -79.06 -37.09 39.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.587 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 12.6 pttt -67.26 -34.73 78.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.587 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 14.7 m-30 -83.79 37.87 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.9 ttt-85 -64.97 80.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -174.18 177.14 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.59 79.92 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.9 mt -66.7 142.8 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.431 ' CZ2' ' HD2' ' A' ' 64' ' ' LYS . 13.0 t-105 -74.72 101.77 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.22 130.48 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HD2' ' CZ2' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -117.87 177.01 4.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -71.87 147.27 47.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.469 ' N ' ' HD3' ' A' ' 65' ' ' ARG . . . 87.05 -40.82 3.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.742 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -43.29 124.01 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.862 0.363 . . . . 0.0 110.83 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 54.3 m-85 -88.28 132.14 34.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 68' ' ' PHE . 13.2 mt -131.49 164.96 24.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 85' ' ' SER . 92.8 mt -104.01 115.09 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.688 HG11 HG11 ' A' ' 51' ' ' VAL . 16.5 m -107.75 154.1 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.496 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -123.33 130.52 24.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.709 . . . . 0.0 110.883 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 142.35 47.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.295 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.701 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.8 mt -117.5 145.87 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -61.66 -177.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -44.23 117.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.33 -143.47 3.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -52.61 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -83.07 21.49 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.403 ' C ' ' HE3' ' A' ' 81' ' ' LYS . 89.6 t -100.17 138.42 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HE3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -82.58 -49.69 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.496 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -149.78 -177.2 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.11 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.701 ' HG3' HD11 ' A' ' 74' ' ' ILE . 47.5 mt-10 -141.1 140.33 34.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.822 HD12 ' SD ' ' A' ' 53' ' ' MET . 43.1 mt -49.78 159.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.541 ' N ' HG22 ' A' ' 84' ' ' ILE . 55.9 m -131.52 -42.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -155.44 154.99 32.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.9 t -95.14 107.86 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 39.3 mt -69.68 145.45 52.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' LYS . 2.5 t -126.03 161.75 26.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 89' ' ' CYS . 29.2 mmtm -35.98 -53.23 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -61.31 -56.05 24.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.509 ' CE1' ' HB ' ' A' ' 19' ' ' ILE . 2.9 t-160 -38.45 -57.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.626 HG22 ' CZ3' ' A' ' 102' ' ' TRP . 98.3 t -49.72 -42.93 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -51.63 -44.67 63.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -65.1 -62.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.6 mt -44.0 -43.49 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -63.69 -42.15 98.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -63.73 -50.34 69.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.76 -28.77 68.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.65 38.81 4.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -113.57 -37.74 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.626 ' CZ3' HG22 ' A' ' 93' ' ' VAL . 64.6 t-105 -47.05 138.79 7.36 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.519 0.675 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.521 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 54.1 Cg_endo -69.75 168.32 21.88 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -95.55 -34.88 11.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.592 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -62.26 -7.88 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.425 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 11.8 m-85 -127.75 17.26 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 m -94.02 -34.75 12.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.854 0.359 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.1 t -140.47 126.95 11.93 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.643 0.735 . . . . 0.0 111.133 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.537 ' HG2' HD11 ' A' ' 27' ' ' ILE . 64.7 Cg_exo -47.96 119.26 3.72 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -61.42 158.85 13.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -45.96 -51.05 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -73.61 -40.92 63.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.459 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 10.0 mt-30 -55.64 150.35 12.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -141.02 143.18 34.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.537 HD11 ' HG2' ' A' ' 21' ' ' PRO . 66.8 mt -89.13 120.79 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.927 HG21 HG21 ' A' ' 41' ' ' VAL . 26.9 m -127.41 175.25 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.444 ' CD ' ' HA2' ' A' ' 66' ' ' GLY . 8.2 ttt-85 -118.89 140.83 49.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.632 ' HA ' HG12 ' A' ' 41' ' ' VAL . 84.9 t -73.74 153.41 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 42' ' ' GLU . 24.8 mt -130.46 -57.76 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 32' ' ' ARG . 23.8 mtm105 -155.79 168.22 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 38' ' ' LEU . 1.9 m -144.1 123.45 7.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.557 0.694 . . . . 0.0 111.178 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -6.26 18.18 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.367 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.403 ' H ' HG22 ' A' ' 33' ' ' THR . . . 107.29 -38.12 3.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -58.38 -174.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -81.14 40.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 52' ' ' SER . 21.4 mt -138.2 171.29 14.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.649 ' O ' HG22 ' A' ' 51' ' ' VAL . 38.8 m80 -154.85 141.87 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -98.27 116.27 30.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.927 HG21 HG21 ' A' ' 28' ' ' VAL . 31.3 m -122.69 177.26 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.512 ' HB3' HD11 ' A' ' 31' ' ' LEU . 7.3 pt-20 -139.15 148.67 43.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 p -93.35 178.39 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . . . -71.11 -20.76 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -90.06 24.14 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.83 58.84 12.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -131.28 107.97 9.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -85.24 137.87 32.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.737 ' CE1' HG23 ' A' ' 41' ' ' VAL . 19.6 p90 -155.41 179.15 9.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -112.01 154.98 24.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 39' ' ' HIS . 32.2 m -130.42 164.64 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.635 ' OG ' HG21 ' A' ' 80' ' ' VAL . 1.5 m -119.15 160.65 21.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.572 ' SD ' HD12 ' A' ' 84' ' ' ILE . 4.2 tpt -96.09 125.18 49.21 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.553 0.692 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.4 Cg_exo -48.01 133.03 23.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -59.62 -11.35 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.557 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 9.8 pttt -95.32 -16.42 22.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.557 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 12.6 m-30 -99.24 45.22 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -68.21 85.98 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -174.88 170.54 3.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -89.25 82.75 6.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.2 mt -74.43 147.67 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.429 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 18.7 t90 -74.75 99.45 3.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.51 106.3 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 6.2 mtmp? -113.08 174.7 5.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.436 ' HG2' ' N ' ' A' ' 66' ' ' GLY . 44.8 ttt180 -68.65 149.69 48.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.444 ' HA2' ' CD ' ' A' ' 29' ' ' ARG . . . 81.61 -41.32 2.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.527 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -43.84 124.52 3.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.886 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.606 ' O ' HD23 ' A' ' 69' ' ' LEU . 33.9 m-85 -88.91 138.42 31.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 68' ' ' PHE . 12.0 mt -142.47 170.48 15.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 25' ' ' GLN . 72.8 mt -111.26 113.85 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.609 HG11 HG11 ' A' ' 51' ' ' VAL . 16.2 m -109.07 154.68 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.473 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 21.7 t70 -123.62 133.31 24.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.851 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 151.1 69.02 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.372 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.833 HD11 ' HG3' ' A' ' 83' ' ' GLU . 8.7 mt -123.07 152.59 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.91 -178.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -38.12 122.85 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.29 -143.71 4.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.567 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.92 -174.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.384 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -83.09 21.54 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.635 HG21 ' OG ' ' A' ' 52' ' ' SER . 87.9 t -100.21 136.13 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -80.08 -59.47 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.473 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -138.37 176.26 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.06 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.833 ' HG3' HD11 ' A' ' 74' ' ' ILE . 18.8 mt-10 -132.47 147.24 52.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.572 HD12 ' SD ' ' A' ' 53' ' ' MET . 53.1 mt -53.46 138.42 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.9 m -113.73 -46.04 3.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -156.48 151.57 26.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.487 ' HA ' HD22 ' A' ' 69' ' ' LEU . 56.2 t -94.89 109.89 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.681 HD23 ' CD2' ' A' ' 92' ' ' HIS . 60.7 mt -67.85 138.86 56.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 90' ' ' LYS . 25.6 m -108.12 153.56 22.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 89' ' ' CYS . 29.2 mttt -34.66 -54.19 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -61.43 -44.9 96.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.681 ' CD2' HD23 ' A' ' 88' ' ' LEU . 1.3 t-80 -49.75 -54.74 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.63 HG13 ' CH2' ' A' ' 102' ' ' TRP . 69.7 t -44.67 -63.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -45.69 -48.65 15.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t -52.69 -61.69 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.485 HD21 ' HD3' ' A' ' 21' ' ' PRO . 37.1 mt -44.89 -41.35 7.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -62.16 -50.97 69.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -57.15 -49.74 75.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.86 -27.51 68.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.13 49.02 2.13 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -127.72 -39.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.63 ' CH2' HG13 ' A' ' 93' ' ' VAL . 59.8 t-105 -48.82 139.3 11.92 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.58 0.705 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.5 Cg_endo -69.77 174.43 9.53 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -95.84 -37.77 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -57.01 -31.97 65.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -105.22 18.86 21.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 t -97.59 -30.51 12.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.845 0.355 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.435 HG13 ' HD2' ' A' ' 21' ' ' PRO . 83.9 t -142.79 134.04 12.81 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.633 0.73 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.435 ' HD2' HG13 ' A' ' 20' ' ' VAL . 64.1 Cg_exo -48.01 119.44 3.91 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.5 m -55.93 177.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -57.85 -46.46 84.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -83.54 -39.13 20.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -53.47 149.05 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -142.65 147.7 36.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.5 mt -87.25 131.44 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.555 HG11 ' HZ ' ' A' ' 49' ' ' PHE . 16.0 m -137.67 172.56 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -118.48 134.44 55.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.853 ' HA ' HG12 ' A' ' 41' ' ' VAL . 60.8 t -68.83 144.12 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.698 HD11 ' HB3' ' A' ' 42' ' ' GLU . 19.5 mt -118.33 -47.98 2.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -165.08 172.48 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 38' ' ' LEU . 6.0 m -148.04 119.63 4.47 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.54 0.686 . . . . 0.0 111.144 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -0.65 7.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.654 2.236 . . . . 0.0 112.333 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.55 ' H ' HG22 ' A' ' 33' ' ' THR . . . 103.22 -43.39 1.68 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.443 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -53.91 -174.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -81.2 40.72 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 52' ' ' SER . 30.5 mt -139.13 169.47 17.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.565 ' CD2' ' O ' ' A' ' 38' ' ' LEU . 35.7 m-70 -153.41 142.31 21.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.616 ' HG2' HD12 ' A' ' 31' ' ' LEU . 44.3 tt0 -97.23 109.04 21.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.853 HG12 ' HA ' ' A' ' 30' ' ' VAL . 9.5 m -115.73 174.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.698 ' HB3' HD11 ' A' ' 31' ' ' LEU . 14.7 pt-20 -135.55 152.15 51.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 p -95.06 171.84 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.29 -26.8 68.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -89.13 25.99 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.24 70.12 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -139.31 105.43 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.596 ' HD3' HD13 ' A' ' 31' ' ' LEU . 31.2 mtt180 -80.31 145.07 32.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.656 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 24.3 p90 -167.6 171.02 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -107.39 151.28 25.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.61 HG11 HG11 ' A' ' 71' ' ' VAL . 24.8 m -133.05 153.61 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.67 ' HA ' HD23 ' A' ' 38' ' ' LEU . 1.7 t -97.74 168.35 10.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.681 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.3 tpt -104.27 131.83 21.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.8 Cg_exo -47.99 174.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.6 p -93.4 -23.23 18.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.577 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 47.1 pttt -87.08 -12.2 47.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.94 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.577 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 12.7 m-30 -98.96 31.06 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -60.43 79.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' TYR . 16.1 tttp -175.12 155.61 1.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -75.1 83.19 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.1 mt -71.17 145.22 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.453 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 25.0 t90 -76.15 87.28 3.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.2 mt -114.34 110.29 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 6.9 mtmp? -115.65 178.63 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -71.67 148.15 46.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.82 -22.02 27.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.565 ' O ' HG23 ' A' ' 30' ' ' VAL . 64.2 t0 -72.63 125.67 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.685 ' O ' HD23 ' A' ' 69' ' ' LEU . 11.1 m-85 -88.15 132.22 34.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 68' ' ' PHE . 13.2 mt -133.41 163.9 28.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 85' ' ' SER . 93.3 mt -107.16 106.06 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.61 HG11 HG11 ' A' ' 51' ' ' VAL . 19.1 m -94.86 162.12 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.549 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -126.62 121.93 23.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 137.9 36.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.646 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.0 mt -117.25 144.66 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.171 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -61.13 -177.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -42.64 120.88 1.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.89 -131.98 1.38 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -62.99 -175.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.43 ' CD ' ' H ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -82.11 17.9 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.434 ' C ' ' HE2' ' A' ' 81' ' ' LYS . 88.5 t -100.27 143.53 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.466 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 7.8 mmpt? -83.65 -52.79 6.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.549 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -147.53 -178.92 6.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.646 ' HG3' HD11 ' A' ' 74' ' ' ILE . 22.4 mt-10 -133.52 139.73 46.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.681 HD12 ' SD ' ' A' ' 53' ' ' MET . 44.6 mt -54.28 144.08 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.498 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 67.2 m -114.4 -39.6 3.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.498 ' CG ' ' O ' ' A' ' 85' ' ' SER . 95.3 m-85 -162.16 163.11 28.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.473 ' HA ' HD22 ' A' ' 69' ' ' LEU . 85.9 t -105.69 102.22 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.8 mt -66.01 149.32 50.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.471 ' O ' HG23 ' A' ' 93' ' ' VAL . 94.4 m -120.92 -177.22 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -53.6 -54.99 29.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' ARG . 1.3 t0 -60.42 -60.13 4.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.1 t-80 -34.92 -58.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.803 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.624 HG22 ' CH2' ' A' ' 102' ' ' TRP . 93.7 t -49.09 -40.3 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 91' ' ' ASP . 17.1 mmt85 -56.52 -43.39 79.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 m -62.31 -70.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 41.2 mt -39.74 -37.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -64.04 -45.7 87.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -71.59 -37.0 71.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.77 -29.19 70.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.29 44.77 2.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -126.72 -42.31 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.624 ' CH2' HG22 ' A' ' 93' ' ' VAL . 54.1 t-105 -42.56 139.22 2.01 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.77 174.29 9.74 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -97.37 -29.02 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.27 98.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.495 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 7.0 m-85 -100.48 22.84 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -97.06 -37.75 10.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 61.5 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.915 0.388 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.594 HG13 ' HD2' ' A' ' 21' ' ' PRO . 92.1 t -125.72 138.34 31.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.614 0.721 . . . . 0.0 111.163 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.594 ' HD2' HG13 ' A' ' 20' ' ' VAL . 65.7 Cg_exo -47.97 129.79 18.71 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -84.08 176.39 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.28 -54.44 46.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -42.09 88.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.465 ' HB3' HG23 ' A' ' 70' ' ' ILE . 56.4 mt-30 -66.12 171.23 4.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -159.99 147.62 16.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.579 HD11 ' CG ' ' A' ' 21' ' ' PRO . 59.4 mt -90.14 119.8 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.721 HG21 HG21 ' A' ' 41' ' ' VAL . 17.5 m -127.27 165.54 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.8 ttt-85 -114.1 132.17 56.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.821 ' HA ' HG12 ' A' ' 41' ' ' VAL . 72.7 t -64.54 156.78 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.484 ' N ' HG12 ' A' ' 30' ' ' VAL . 21.0 mt -129.56 -46.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.428 ' HG2' ' N ' ' A' ' 33' ' ' THR . 9.0 ttm105 -171.99 152.96 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.657 HG22 ' H ' ' A' ' 35' ' ' GLY . 28.3 m -125.63 121.93 24.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.603 0.716 . . . . 0.0 111.154 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -14.24 36.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.377 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.657 ' H ' HG22 ' A' ' 33' ' ' THR . . . 120.08 -49.66 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.516 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -51.82 -174.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -81.24 40.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.423 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 38.1 mt -133.67 165.8 24.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.571 ' CE1' ' CD1' ' A' ' 63' ' ' ILE . 49.5 m-70 -151.63 138.34 18.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG2' HD12 ' A' ' 31' ' ' LEU . 47.8 tt0 -97.15 113.33 24.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.821 HG12 ' HA ' ' A' ' 30' ' ' VAL . 18.5 m -120.29 179.42 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.4 ' HB3' HD11 ' A' ' 31' ' ' LEU . 14.1 pt-20 -138.88 144.11 39.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.479 ' HA ' HG12 ' A' ' 28' ' ' VAL . 27.5 p -85.52 173.7 10.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.38 -24.17 63.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -89.87 24.86 2.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.14 64.0 4.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -135.66 105.19 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.457 ' HD3' HD13 ' A' ' 31' ' ' LEU . 71.3 mtt180 -83.93 143.04 30.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -167.0 179.33 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -111.31 162.07 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.459 HG11 HG11 ' A' ' 71' ' ' VAL . 33.6 m -144.22 155.18 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -101.26 163.86 12.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.777 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.5 tpt -96.67 132.76 25.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.54 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.5 Cg_exo -47.94 161.38 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.67 2.246 . . . . 0.0 112.321 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 m -79.11 -27.98 42.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.554 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 10.4 pttm -81.71 -21.29 38.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.554 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.3 m-30 -88.25 25.52 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.1 mtp-105 -59.5 79.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' TYR . 10.1 tptm -175.04 140.89 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.03 90.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.1 mt -82.46 146.13 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -77.03 103.25 6.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.571 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 42.1 mt -122.51 138.1 53.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 63' ' ' ILE . 9.4 mmpt? -134.68 170.01 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -73.71 145.4 45.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.85 -6.8 83.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -81.65 130.27 34.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.784 ' O ' HD23 ' A' ' 69' ' ' LEU . 61.6 m-85 -88.29 134.63 33.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.784 HD23 ' O ' ' A' ' 68' ' ' PHE . 12.9 mt -139.94 167.76 21.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 85' ' ' SER . 88.5 mt -108.76 118.05 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.459 HG11 HG11 ' A' ' 51' ' ' VAL . 4.6 m -114.5 155.15 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.49 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 4.3 t0 -125.16 131.76 24.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.588 0.709 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.401 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 53.7 Cg_endo -69.77 146.39 60.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.68 2.253 . . . . 0.0 112.386 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.864 HD11 ' HG3' ' A' ' 83' ' ' GLU . 11.0 mt -117.38 158.36 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' HG22 ' A' ' 74' ' ' ILE . 2.5 pt-20 -74.66 177.79 5.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -38.48 114.9 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.72 -133.08 1.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -174.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.38 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -82.92 21.11 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.8 t -100.2 137.24 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -80.21 -53.1 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.49 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -146.27 177.02 9.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.864 ' HG3' HD11 ' A' ' 74' ' ' ILE . 34.2 mt-10 -129.26 140.78 51.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.777 HD12 ' SD ' ' A' ' 53' ' ' MET . 88.3 mt -50.58 153.79 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.077 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 70' ' ' ILE . 14.9 m -124.14 -44.37 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -157.95 166.58 32.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.623 ' HA ' HD22 ' A' ' 69' ' ' LEU . 96.4 t -107.56 101.44 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.46 146.1 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 3.3 t -113.54 172.84 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -50.37 -49.49 54.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -64.73 -51.59 61.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -43.3 -56.53 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.62 HG13 ' CH2' ' A' ' 102' ' ' TRP . 84.4 t -48.89 -29.35 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -69.98 -49.46 51.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -54.87 -66.3 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.425 HD13 HD11 ' A' ' 27' ' ' ILE . 65.0 mt -41.03 -41.17 1.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -60.49 -42.57 96.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -74.1 -40.85 62.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 101' ' ' PHE . 34.9 mt-10 -62.92 -25.76 68.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.19 39.0 4.94 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.495 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.519 ' CE2' HG11 ' A' ' 20' ' ' VAL . 57.9 m-85 -116.67 -38.24 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.62 ' CH2' HG13 ' A' ' 93' ' ' VAL . 40.9 t-105 -49.76 139.21 16.62 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.554 0.692 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.7 Cg_endo -69.75 176.74 6.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.246 . . . . 0.0 112.321 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -100.56 -9.07 22.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.04 -8.94 54.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -128.21 -10.26 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.6 p -46.12 -51.63 13.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.6 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.887 0.375 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.4 t -131.75 129.63 22.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.539 ' HD3' HD21 ' A' ' 96' ' ' LEU . 65.1 Cg_exo -48.0 125.22 11.27 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.9 p -68.04 173.27 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -56.28 -45.77 80.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.47 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 42.6 mt-30 -78.45 -36.46 45.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -67.97 150.94 47.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -146.47 151.3 37.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.691 HD11 HD13 ' A' ' 96' ' ' LEU . 67.8 mt -87.48 127.87 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.917 HG21 HG21 ' A' ' 41' ' ' VAL . 30.7 m -133.83 164.5 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -111.24 132.29 54.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.827 ' HA ' HG12 ' A' ' 41' ' ' VAL . 57.0 t -68.5 138.57 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 42' ' ' GLU . 24.2 mt -112.74 -58.53 2.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -148.24 -178.57 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 35' ' ' GLY . 2.8 m -156.02 118.35 2.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 111.147 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -3.55 12.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.226 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' H ' HG22 ' A' ' 33' ' ' THR . . . 105.18 -44.36 1.49 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -52.97 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -81.1 40.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.688 HD23 ' HA ' ' A' ' 52' ' ' SER . 18.9 mt -135.89 171.43 14.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.437 ' O ' HG22 ' A' ' 51' ' ' VAL . 56.7 m80 -155.2 138.83 16.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.47 112.34 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.917 HG21 HG21 ' A' ' 28' ' ' VAL . 27.3 m -117.49 179.88 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.581 ' HB3' HD11 ' A' ' 31' ' ' LEU . 9.4 pt-20 -138.61 143.99 39.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.0 p -90.02 166.15 13.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.583 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . . . -57.41 -27.75 62.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -87.22 28.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.14 51.47 46.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -117.68 102.46 9.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -79.72 142.55 35.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.587 ' CE1' HG23 ' A' ' 41' ' ' VAL . 10.4 p90 -168.12 178.76 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -112.9 159.98 18.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.765 HG11 HG11 ' A' ' 71' ' ' VAL . 33.4 m -140.68 151.76 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.688 ' HA ' HD23 ' A' ' 38' ' ' LEU . 5.9 t -97.11 161.67 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.872 ' SD ' HD12 ' A' ' 84' ' ' ILE . 6.5 tpt -99.41 132.5 23.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.557 0.694 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.459 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.3 Cg_exo -47.98 163.92 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.299 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.2 m -80.37 -37.27 32.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.497 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 37.6 pttt -72.92 -14.99 61.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.497 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 10.3 m-30 -95.37 24.68 4.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -58.52 80.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 57' ' ' TYR . 27.0 mtmt -168.25 172.33 8.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -91.95 81.61 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.422 HD12 ' CE ' ' A' ' 53' ' ' MET . 13.2 mt -72.87 140.48 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -74.96 106.27 6.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.2 mt -126.17 135.13 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -129.28 175.29 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -76.67 126.92 31.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.68 -22.34 24.15 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 30' ' ' VAL . 5.4 t0 -64.35 128.49 36.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.87 ' O ' HD23 ' A' ' 69' ' ' LEU . 49.4 m-85 -90.29 130.07 36.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.87 HD23 ' O ' ' A' ' 68' ' ' PHE . 12.8 mt -133.39 165.12 25.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 85' ' ' SER . 89.5 mt -107.56 105.07 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.765 HG11 HG11 ' A' ' 51' ' ' VAL . 32.8 m -93.7 157.91 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.56 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -124.09 122.1 26.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.89 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.47 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 54.0 Cg_endo -69.69 143.2 50.43 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.852 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.6 mt -119.53 154.55 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' GLU . 5.4 pt-20 -72.13 -177.43 2.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 75' ' ' GLU . 58.1 mm-40 -37.45 122.88 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.05 -130.45 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -68.72 -174.9 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.45 ' HE3' ' N ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -82.95 20.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.4 t -100.18 135.16 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -77.8 -51.85 9.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -146.48 177.47 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.852 ' HG3' HD11 ' A' ' 74' ' ' ILE . 23.8 mt-10 -129.65 140.25 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.872 HD12 ' SD ' ' A' ' 53' ' ' MET . 76.6 mt -54.71 139.36 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' ILE . 19.5 m -108.57 -48.09 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -154.36 169.6 23.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.687 ' HA ' HD22 ' A' ' 69' ' ' LEU . 98.6 t -107.84 104.35 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.459 HD12 ' C ' ' A' ' 68' ' ' PHE . 12.7 mt -67.17 150.02 49.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 90' ' ' LYS . 28.6 m -130.5 164.23 25.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 89' ' ' CYS . 23.6 mmmt -38.07 -41.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' HIS . 14.3 m-20 -68.78 -64.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.0 t-160 -35.63 -58.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' HIS . 91.9 t -36.24 -58.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.6 -55.18 5.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.7 m -46.13 -54.54 8.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.691 HD13 HD11 ' A' ' 27' ' ' ILE . 50.9 mt -63.26 -37.71 88.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -62.01 -40.28 95.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -72.29 -47.64 48.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.0 -21.4 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 88.44 33.71 10.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -106.63 -37.51 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.529 ' CD2' ' HD2' ' A' ' 103' ' ' PRO . 53.0 t-105 -47.66 137.86 9.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.564 0.697 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.529 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.4 Cg_endo -69.74 -170.2 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.272 . . . . 0.0 112.34 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -110.06 -35.39 6.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.583 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -62.56 -23.28 66.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -112.08 21.81 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 t -100.95 -39.01 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 66.1 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.894 0.378 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -128.3 125.48 23.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.477 ' HG2' HD11 ' A' ' 27' ' ' ILE . 64.3 Cg_exo -47.97 120.68 5.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -66.48 168.61 8.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -52.0 -36.37 49.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.38 -38.26 22.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -67.85 145.63 54.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -137.33 151.63 48.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.477 HD11 ' HG2' ' A' ' 21' ' ' PRO . 78.9 mt -96.84 130.27 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.615 HG21 HG21 ' A' ' 41' ' ' VAL . 19.2 m -134.38 179.65 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 19.2 ttt180 -125.28 139.77 53.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.732 ' HA ' HG12 ' A' ' 41' ' ' VAL . 23.3 t -77.09 152.01 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mt -127.74 -55.3 1.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 -154.36 162.75 40.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 35' ' ' GLY . 2.5 m -134.63 119.58 14.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 111.172 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -1.03 7.8 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.706 2.27 . . . . 0.0 112.329 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' H ' HG22 ' A' ' 33' ' ' THR . . . 103.23 -40.22 2.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -61.06 -174.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.435 ' O ' HD23 ' A' ' 38' ' ' LEU . 42.7 p30 -81.46 40.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 37' ' ' ASN . 16.9 mt -133.24 166.93 21.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.608 ' O ' HG22 ' A' ' 51' ' ' VAL . 50.3 m80 -152.3 127.7 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.476 ' OE1' HD21 ' A' ' 50' ' ' LEU . 3.4 tp10 -85.03 102.74 13.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 30' ' ' VAL . 7.8 m -110.35 178.71 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -143.49 147.45 34.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.9 p -87.13 -179.36 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.19 -19.47 59.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -91.77 23.74 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.8 61.73 7.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -133.39 101.32 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -80.28 142.91 34.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.412 ' HZ ' HG11 ' A' ' 28' ' ' VAL . 22.4 p90 -166.32 174.94 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.476 HD21 ' OE1' ' A' ' 40' ' ' GLU . 22.4 mt -105.8 156.38 18.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.827 HG11 HG11 ' A' ' 71' ' ' VAL . 27.0 m -139.85 142.88 31.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -89.19 161.22 16.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.745 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.9 tpt -101.82 132.62 21.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.541 0.686 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 66.4 Cg_exo -48.02 170.93 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.697 2.265 . . . . 0.0 112.357 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -83.91 -41.97 16.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.56 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.0 pttm -66.55 -26.85 67.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 12.3 m-30 -84.46 24.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -60.7 78.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' TYR . 2.8 ttpm? -175.21 134.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -56.53 87.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 62' ' ' TRP . 26.2 mt -74.66 155.21 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.537 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 28.4 t90 -81.91 87.73 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.431 HG23 HG21 ' A' ' 30' ' ' VAL . 86.0 mt -116.64 115.01 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.537 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 43.4 mtmt -118.95 170.78 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -57.75 146.72 30.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.463 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 89.41 -35.73 3.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.454 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.701 ' O ' HG23 ' A' ' 30' ' ' VAL . 35.7 t0 -53.72 122.28 9.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.578 ' O ' HD23 ' A' ' 69' ' ' LEU . 28.1 m-85 -90.99 129.02 37.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 68' ' ' PHE . 14.3 mt -127.74 168.05 15.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 85' ' ' SER . 91.9 mt -111.26 107.64 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.827 HG11 HG11 ' A' ' 51' ' ' VAL . 22.5 m -102.18 157.08 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -122.34 129.64 25.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 110.855 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.0 49.45 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.841 HD11 ' HG3' ' A' ' 83' ' ' GLU . 8.9 mt -118.79 153.8 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.78 177.8 1.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -42.42 113.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.95 -141.13 3.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -51.97 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -82.6 18.66 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.9 t -100.15 138.19 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -83.44 -44.57 14.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.502 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -153.91 178.4 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.841 ' HG3' HD11 ' A' ' 74' ' ' ILE . 44.8 mt-10 -134.1 138.39 45.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.745 HD12 ' SD ' ' A' ' 53' ' ' MET . 40.9 mt -55.36 146.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' ILE . 30.2 m -115.33 -42.65 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.815 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -153.18 173.02 16.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -114.29 104.76 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.4 mt -69.04 154.21 42.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' LYS . 26.7 p -133.1 159.49 39.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' CYS . 2.4 mmmm -34.77 -45.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' HIS . 5.5 m-20 -63.58 -63.87 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' VAL . 3.3 t-160 -36.58 -59.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.535 HG22 ' CH2' ' A' ' 102' ' ' TRP . 84.6 t -34.27 -59.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.414 HH12 ' CE ' ' A' ' 90' ' ' LYS . 8.7 mpt_? -43.07 -58.66 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.1 m -41.78 -61.74 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 39.6 mt -55.22 -43.36 74.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -56.92 -39.26 74.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -72.45 -47.76 46.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.51 -22.61 66.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.85 40.81 5.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -115.46 -35.84 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.535 ' CH2' HG22 ' A' ' 93' ' ' VAL . 49.8 t-105 -53.61 139.18 50.31 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.572 0.701 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 54.1 Cg_endo -69.67 -175.05 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.382 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -108.74 -34.39 6.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.36 -7.56 14.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -125.35 12.5 8.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -93.11 -30.83 15.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 80.6 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.886 0.374 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.0 t -123.88 130.97 24.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.711 . . . . 0.0 111.129 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.485 ' HD3' HD21 ' A' ' 96' ' ' LEU . 64.2 Cg_exo -48.0 119.61 4.06 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.256 . . . . 0.0 112.365 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -70.21 152.41 44.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -42.14 -50.46 4.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -66.25 -46.07 78.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -60.55 175.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -162.28 153.15 17.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.433 HD11 ' HG2' ' A' ' 21' ' ' PRO . 72.8 mt -94.32 125.14 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.626 HG21 HG21 ' A' ' 41' ' ' VAL . 30.5 m -135.77 165.81 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.517 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 28.0 ttt180 -113.68 138.13 50.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.627 ' HA ' HG12 ' A' ' 41' ' ' VAL . 33.5 t -70.56 159.52 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.504 ' N ' HG12 ' A' ' 30' ' ' VAL . 35.4 mt -129.07 -63.42 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -158.51 127.88 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.64 HG22 ' H ' ' A' ' 35' ' ' GLY . 9.7 m -94.74 120.42 64.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.574 0.702 . . . . 0.0 111.199 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -1.79 9.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.64 ' H ' HG22 ' A' ' 33' ' ' THR . . . 103.34 -49.3 0.96 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -52.43 -174.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.7 p30 -81.36 40.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' A' ' 52' ' ' SER . 40.2 mt -138.1 160.63 38.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.52 ' O ' HG22 ' A' ' 51' ' ' VAL . 31.0 m-70 -145.41 132.17 20.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -89.49 114.83 26.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.627 HG12 ' HA ' ' A' ' 30' ' ' VAL . 6.5 m -119.52 177.56 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -140.62 143.4 35.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.404 ' HA ' HG12 ' A' ' 28' ' ' VAL . 17.5 p -86.7 176.62 7.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.79 -19.54 60.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -92.14 23.48 3.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.3 65.63 3.32 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -138.92 107.91 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -85.63 143.44 28.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.541 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 26.2 p90 -165.94 179.9 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -114.68 155.82 25.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.621 HG11 HG11 ' A' ' 71' ' ' VAL . 31.5 m -136.68 143.31 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.526 ' HA ' HD23 ' A' ' 38' ' ' LEU . 2.1 t -87.56 163.73 16.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.778 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.6 tpt -98.44 133.27 22.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.688 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.4 Cg_exo -48.0 169.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 t -87.03 -25.49 24.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.568 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 19.9 pttt -84.73 -16.26 42.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.568 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 12.1 m-30 -94.23 31.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -63.05 79.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -175.02 166.18 3.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -81.61 85.31 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.444 HD12 ' CE ' ' A' ' 53' ' ' MET . 22.1 mt -74.71 141.17 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.442 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 23.0 t90 -75.04 87.18 2.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.8 mt -115.07 109.03 26.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 7.6 mtmp? -105.4 -178.51 3.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -79.07 144.97 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.74 -35.13 4.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 30' ' ' VAL . 8.0 t0 -58.84 127.33 31.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 29' ' ' ARG . 56.3 m-85 -89.81 132.82 35.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.641 HD22 ' HA ' ' A' ' 87' ' ' VAL . 11.3 mt -131.5 169.26 16.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' SER . 97.4 mt -109.8 112.4 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.621 HG11 HG11 ' A' ' 51' ' ' VAL . 10.3 m -111.24 155.28 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.586 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -124.47 136.3 27.61 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.613 0.72 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 150.77 68.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.937 HD11 ' HG3' ' A' ' 83' ' ' GLU . 13.9 mt -119.85 151.35 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.14 173.01 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -39.28 103.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.97 -138.24 2.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -52.25 -177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.374 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -83.05 19.51 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.9 t -100.04 141.94 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.457 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 5.1 mmpt? -81.36 -54.14 5.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 72' ' ' ASP . . . -145.06 179.16 7.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.048 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.937 ' HG3' HD11 ' A' ' 74' ' ' ILE . 26.0 mt-10 -131.49 140.93 49.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.778 HD12 ' SD ' ' A' ' 53' ' ' MET . 62.2 mt -53.51 145.04 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' ILE . 14.4 m -114.42 -44.82 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.448 ' CG ' ' O ' ' A' ' 85' ' ' SER . 91.7 m-85 -160.13 161.54 33.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.641 ' HA ' HD22 ' A' ' 69' ' ' LEU . 72.1 t -102.97 105.49 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.3 mt -66.74 150.44 49.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' LYS . 88.6 m -122.48 159.44 27.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' CYS . 21.0 mmmt -36.34 -45.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -64.03 -56.18 16.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 93' ' ' VAL . 2.1 t-160 -40.61 -62.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 92' ' ' HIS . 93.6 t -34.9 -54.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.51 -51.13 57.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.5 m -49.68 -65.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.485 HD21 ' HD3' ' A' ' 21' ' ' PRO . 39.9 mt -47.13 -44.16 21.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -59.6 -41.34 90.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -69.37 -39.45 78.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.99 -20.68 63.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.87 39.66 6.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -116.0 -42.59 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.523 ' CD2' ' HD2' ' A' ' 103' ' ' PRO . 61.7 t-105 -42.26 137.38 2.19 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.576 0.703 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.523 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 54.0 Cg_endo -69.72 168.67 20.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.377 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -90.57 -30.23 17.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.15 -8.21 29.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -127.48 -2.94 6.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.69 -48.26 82.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.815 0.34 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.9 t -138.3 132.68 16.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 111.161 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.98 119.22 3.69 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.477 ' N ' ' HB2' ' A' ' 25' ' ' GLN . 39.2 m -54.24 -176.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -57.84 -47.55 82.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -82.32 -43.98 16.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.57 HE21 HG21 ' A' ' 70' ' ' ILE . 14.8 mt-30 -43.91 139.75 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.423 ' OE1' HG22 ' A' ' 43' ' ' THR . 8.2 pt20 -135.3 146.0 48.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.491 HD11 HD13 ' A' ' 96' ' ' LEU . 97.2 mt -89.03 118.87 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.015 HG21 HG21 ' A' ' 41' ' ' VAL . 29.0 m -123.18 176.6 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.482 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 25.8 ttp180 -124.4 142.76 51.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.784 ' HA ' HG12 ' A' ' 41' ' ' VAL . 57.3 t -75.95 148.55 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.432 ' CD1' ' HD3' ' A' ' 48' ' ' ARG . 49.4 mt -124.7 -60.24 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -151.86 142.15 22.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.722 HG22 ' H ' ' A' ' 35' ' ' GLY . 37.6 m -115.68 116.64 40.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.591 0.71 . . . . 0.0 111.157 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 3.03 2.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.722 ' H ' HG22 ' A' ' 33' ' ' THR . . . 96.04 -48.57 1.78 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -51.64 -174.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -81.59 40.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 52' ' ' SER . 79.1 mt -136.89 162.0 34.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.521 ' O ' HG22 ' A' ' 51' ' ' VAL . 66.2 m80 -146.74 139.47 25.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -99.99 110.89 23.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 1.015 HG21 HG21 ' A' ' 28' ' ' VAL . 32.7 m -121.47 174.21 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -134.94 152.73 51.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.423 HG22 ' OE1' ' A' ' 26' ' ' GLN . 11.7 p -93.29 -179.58 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.08 -25.05 61.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -88.39 24.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.74 66.72 2.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -137.63 104.96 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.432 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 50.6 mtt180 -81.48 146.6 30.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.551 ' HZ ' HG11 ' A' ' 28' ' ' VAL . 33.8 p90 -167.6 172.45 9.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -107.11 153.33 22.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.667 HG11 HG11 ' A' ' 71' ' ' VAL . 30.2 m -131.25 166.76 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.618 ' OG ' HG21 ' A' ' 80' ' ' VAL . 1.4 m -116.81 162.35 17.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.768 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.0 tpt -96.09 130.36 31.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.714 . . . . 0.0 110.861 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.562 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 Cg_exo -48.02 141.93 16.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.335 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.3 m -59.76 -38.88 83.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.16 -8.32 58.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.562 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 3.5 m-30 -94.03 30.7 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -66.62 85.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -174.86 173.61 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -92.37 77.79 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.5 mt -68.2 145.46 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.161 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -74.92 101.56 4.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.6 mt -121.64 136.2 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -131.63 162.09 31.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 66' ' ' GLY . 14.7 ttt180 -64.45 145.98 55.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.475 ' N ' ' HG2' ' A' ' 65' ' ' ARG . . . 82.93 -32.66 2.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.545 ' O ' HG23 ' A' ' 30' ' ' VAL . 28.9 t0 -46.86 128.02 10.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.586 ' O ' HD23 ' A' ' 69' ' ' LEU . 24.5 m-85 -88.13 131.84 34.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 87' ' ' VAL . 11.4 mt -134.41 161.57 34.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.588 HD11 HD21 ' A' ' 88' ' ' LEU . 57.6 mt -100.69 109.52 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.667 HG11 HG11 ' A' ' 51' ' ' VAL . 20.2 m -101.18 147.25 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.517 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 8.7 t0 -120.59 128.69 25.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.643 0.735 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 143.78 52.09 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 1.001 HD11 ' HG3' ' A' ' 83' ' ' GLU . 8.3 mt -117.06 151.39 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.27 -177.25 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -38.25 121.5 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.4 -146.34 5.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -55.21 -174.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.917 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -83.69 22.12 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.618 HG21 ' OG ' ' A' ' 52' ' ' SER . 96.8 t -100.24 137.28 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.454 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 8.7 mmpt? -78.0 -62.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.517 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -137.42 177.02 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 1.001 ' HG3' HD11 ' A' ' 74' ' ' ILE . 19.2 mt-10 -131.09 145.49 52.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.768 HD12 ' SD ' ' A' ' 53' ' ' MET . 35.4 mt -54.69 139.74 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.9 m -114.16 -48.32 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -155.15 134.32 12.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.658 ' HA ' HD22 ' A' ' 69' ' ' LEU . 88.5 t -79.31 106.98 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.588 HD21 HD11 ' A' ' 70' ' ' ILE . 35.4 mt -67.31 125.48 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 59.0 m -98.29 162.01 13.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.468 ' HE3' ' N ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -40.51 -44.82 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -56.24 13.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' VAL . 3.2 t-160 -40.61 -60.64 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.637 HG22 ' CH2' ' A' ' 102' ' ' TRP . 91.9 t -35.33 -52.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -49.68 72.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.9 m -48.84 -58.22 5.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.491 HD13 HD11 ' A' ' 27' ' ' ILE . 51.5 mt -56.26 -40.65 74.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -58.9 -46.71 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -62.27 -47.06 86.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -61.62 -28.85 69.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.63 31.5 7.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -108.41 -42.6 4.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.362 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.637 ' CH2' HG22 ' A' ' 93' ' ' VAL . 60.8 t-105 -40.0 138.07 1.13 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.566 0.698 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.3 Cg_endo -69.78 160.5 49.47 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -84.3 -40.77 17.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -52.84 -39.11 62.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.077 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -100.96 23.27 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.3 t -98.2 -44.12 6.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.7 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.871 0.367 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.508 HG13 ' HD2' ' A' ' 21' ' ' PRO . 98.5 t -121.45 136.08 25.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD2' HG13 ' A' ' 20' ' ' VAL . 64.6 Cg_exo -47.94 120.81 5.14 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.686 2.257 . . . . 0.0 112.334 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t -69.94 -177.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -63.08 -48.09 80.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -75.18 -42.51 55.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -56.52 169.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -162.27 147.53 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.424 HD11 ' HG2' ' A' ' 21' ' ' PRO . 89.8 mt -87.36 128.73 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.823 HG21 HG21 ' A' ' 41' ' ' VAL . 31.6 m -133.95 178.17 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.486 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 30.8 ttp180 -128.32 137.54 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.543 ' HA ' HG12 ' A' ' 41' ' ' VAL . 96.1 t -70.3 156.98 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.493 ' N ' HG12 ' A' ' 30' ' ' VAL . 26.0 mt -134.08 -47.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -169.01 146.28 3.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.657 HG22 ' H ' ' A' ' 35' ' ' GLY . 15.2 m -119.98 119.98 30.63 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.587 0.708 . . . . 0.0 111.167 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 1.37 4.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.657 ' H ' HG22 ' A' ' 33' ' ' THR . . . 101.57 -48.34 1.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -52.16 -174.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 1.6 p-10 -81.54 40.69 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.448 ' O ' HG23 ' A' ' 33' ' ' THR . 26.3 mt -133.01 166.36 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.645 ' O ' HG22 ' A' ' 51' ' ' VAL . 58.0 m80 -152.66 128.37 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.465 ' HG2' HD12 ' A' ' 31' ' ' LEU . 30.7 tt0 -87.6 111.64 21.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.821 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.823 HG21 HG21 ' A' ' 28' ' ' VAL . 26.1 m -120.42 171.23 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -130.01 155.34 46.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 p -98.29 -176.59 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.82 -28.15 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -87.0 26.27 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.36 62.1 6.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -129.91 110.87 12.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 110.952 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -82.4 145.64 29.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.799 ' CE1' HG23 ' A' ' 41' ' ' VAL . 19.0 p90 -167.5 173.21 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.7 mt -111.35 150.75 29.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.654 HG11 HG11 ' A' ' 71' ' ' VAL . 29.6 m -130.28 162.21 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -108.26 163.41 13.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.748 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.5 tpt -98.08 128.2 34.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.551 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 66.5 Cg_exo -48.06 157.49 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t -75.43 -44.5 44.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.9 pttp -62.1 -20.3 63.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 13.5 m-30 -95.92 32.01 1.98 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 -63.48 77.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 57' ' ' TYR . 28.2 mttt -161.94 -175.27 4.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -100.11 79.64 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.501 HD12 ' CE ' ' A' ' 53' ' ' MET . 21.3 mt -71.35 137.52 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.407 ' CZ2' ' HD2' ' A' ' 64' ' ' LYS . 13.7 t-105 -77.36 101.66 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.1 mt -116.94 135.05 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HA ' ' HZ1' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -121.39 174.08 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -78.73 139.45 38.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.56 -32.74 5.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -47.72 129.49 13.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.821 0.343 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.486 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 54.3 m-85 -88.25 123.08 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 87' ' ' VAL . 22.6 mt -126.8 159.07 34.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 85' ' ' SER . 75.5 mt -102.14 110.96 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.654 HG11 HG11 ' A' ' 51' ' ' VAL . 15.3 m -106.28 155.79 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.558 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 12.4 t0 -126.73 133.88 25.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 147.5 62.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.709 HD11 ' HG3' ' A' ' 83' ' ' GLU . 12.6 mt -118.84 146.08 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -59.3 -175.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -48.31 114.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.46 -136.14 1.95 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -57.31 -176.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.923 0.392 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -83.85 20.25 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.8 t -100.28 139.21 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.407 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 6.0 mmpt? -78.78 -56.16 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.558 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -143.17 -176.02 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.709 ' HG3' HD11 ' A' ' 74' ' ' ILE . 43.8 mt-10 -139.94 144.8 37.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.748 HD12 ' SD ' ' A' ' 53' ' ' MET . 44.0 mt -53.64 141.13 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.516 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 67.5 m -113.33 -41.7 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 85' ' ' SER . 96.4 m-85 -161.53 155.81 22.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.429 ' HA ' HD22 ' A' ' 69' ' ' LEU . 59.3 t -96.41 122.68 48.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.434 HD23 ' CE1' ' A' ' 92' ' ' HIS . 28.9 mt -87.02 147.1 25.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 90' ' ' LYS . 26.4 p -125.64 162.57 24.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 89' ' ' CYS . 14.8 tptp -34.36 -53.88 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 92' ' ' HIS . 4.8 t0 -62.36 -60.31 3.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t-160 -34.31 -59.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.661 HG22 ' CZ3' ' A' ' 102' ' ' TRP . 77.0 t -48.48 -45.07 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 91' ' ' ASP . 16.6 mmt180 -49.6 -43.49 46.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.8 m -65.87 -62.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 70.5 mt -43.36 -42.91 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -61.74 -45.58 93.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -66.25 -44.27 84.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -59.65 -29.12 67.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.38 40.93 4.08 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.529 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 102' ' ' TRP . 59.8 m-85 -119.65 -45.64 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.661 ' CZ3' HG22 ' A' ' 93' ' ' VAL . 61.7 t-105 -38.22 139.46 0.65 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.6 0.714 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.52 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.7 Cg_endo -69.8 170.96 15.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -94.16 -32.07 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.23 91.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -100.65 24.11 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.6 t -95.91 -38.14 10.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.874 0.368 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.0 t -131.35 127.11 21.62 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.647 0.737 . . . . 0.0 111.134 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -47.98 123.28 8.41 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 t -78.72 -177.34 5.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -62.51 -36.32 82.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -81.76 -39.12 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.449 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 52.1 mt-30 -72.24 158.52 35.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -154.77 144.51 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.1 mt -88.98 136.52 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.098 HG21 HG21 ' A' ' 41' ' ' VAL . 26.8 m -143.25 171.28 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.525 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 9.4 ttt-85 -115.51 135.08 54.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.869 ' HA ' HG12 ' A' ' 41' ' ' VAL . 57.3 t -71.93 144.3 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.592 HD12 ' HG2' ' A' ' 40' ' ' GLU . 43.2 mt -114.41 -64.6 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.417 ' HD3' ' N ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -152.81 144.92 23.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.614 HG22 ' H ' ' A' ' 35' ' ' GLY . 9.2 m -112.11 120.81 40.94 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.538 0.685 . . . . 0.0 111.184 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -10.75 29.38 Favored 'Trans proline' 0 N--CA 1.466 -0.134 0 C-N-CA 122.736 2.291 . . . . 0.0 112.345 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.614 ' H ' HG22 ' A' ' 33' ' ' THR . . . 115.75 -49.79 0.83 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -51.71 -174.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -81.4 40.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.725 HD23 ' HA ' ' A' ' 52' ' ' SER . 20.5 mt -133.88 169.81 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.778 ' O ' HG22 ' A' ' 51' ' ' VAL . 53.2 m80 -154.75 134.4 12.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.592 ' HG2' HD12 ' A' ' 31' ' ' LEU . 23.0 tt0 -91.78 123.62 35.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 1.098 HG21 HG21 ' A' ' 28' ' ' VAL . 20.9 m -131.71 173.02 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.091 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -136.01 142.76 44.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.3 p -86.73 174.42 8.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.9 -23.14 64.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -89.63 24.08 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.06 61.71 7.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -130.72 103.53 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.7 mtt85 -86.25 142.46 28.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -168.74 179.16 4.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -111.0 157.59 19.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 39' ' ' HIS . 29.3 m -138.5 150.43 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.725 ' HA ' HD23 ' A' ' 38' ' ' LEU . 5.0 t -99.53 164.17 12.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.799 ' SD ' HD12 ' A' ' 84' ' ' ILE . 6.0 tpt -97.23 130.63 29.2 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.594 0.711 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.495 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.5 Cg_exo -47.99 164.34 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.229 . . . . 0.0 112.394 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.8 m -80.45 -39.16 28.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.518 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 26.6 pttt -71.2 -15.29 62.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.518 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.1 m-30 -95.2 27.6 3.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -60.3 79.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' TYR . 15.3 tptt -175.06 137.33 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -60.5 87.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.1 mt -75.11 149.56 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 14.8 t-105 -78.27 101.54 7.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 53.8 mt -120.51 137.17 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -131.12 171.73 12.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -70.74 144.1 51.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.59 -23.74 9.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.48 ' O ' HG23 ' A' ' 30' ' ' VAL . 9.3 t0 -56.17 126.62 26.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.878 ' O ' HD23 ' A' ' 69' ' ' LEU . 81.9 m-85 -89.6 130.08 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 68' ' ' PHE . 12.0 mt -137.42 170.54 15.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 85' ' ' SER . 96.6 mt -111.42 119.76 60.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.712 HG11 HG11 ' A' ' 51' ' ' VAL . 6.0 m -114.45 150.99 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -120.12 135.78 24.61 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.661 0.743 . . . . 0.0 110.877 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 151.01 68.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.937 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.3 mt -118.97 158.75 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' GLU . 6.3 pt-20 -82.3 176.55 9.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 75' ' ' GLU . 51.0 mm-40 -37.73 102.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -163.87 -125.78 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.94 168.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 18.55 0.84 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.1 t -99.98 134.64 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.474 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 9.3 mmpt? -69.55 -54.13 15.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.469 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -144.1 177.13 8.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.123 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.937 ' HG3' HD11 ' A' ' 74' ' ' ILE . 30.3 mt-10 -136.52 140.37 42.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.799 HD12 ' SD ' ' A' ' 53' ' ' MET . 53.9 mt -47.89 157.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.14 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.502 ' N ' HG22 ' A' ' 84' ' ' ILE . 9.4 m -131.99 -34.41 1.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 85' ' ' SER . 94.4 m-85 -161.36 168.09 24.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.9 t -111.71 105.99 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.496 HD23 ' CE1' ' A' ' 92' ' ' HIS . 17.8 mt -68.39 154.06 42.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' LYS . 69.0 m -132.88 162.07 32.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' CYS . 37.6 mttt -36.21 -51.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' HIS . 50.7 m-20 -60.16 -59.48 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.496 ' CE1' HD23 ' A' ' 88' ' ' LEU . 2.8 t-160 -35.76 -57.47 0.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.623 HG12 ' HG3' ' A' ' 97' ' ' GLN . 90.3 t -48.39 -48.18 13.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.4 mmm-85 -46.6 -35.87 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 58.3 m -71.81 -73.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.29 -22.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.623 ' HG3' HG12 ' A' ' 93' ' ' VAL . 4.6 mm100 -79.14 -36.78 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 7.3 ptpp? -81.85 -35.16 29.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 24.1 mt-10 -69.16 -19.79 64.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.32 38.94 6.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -115.21 -48.13 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.523 ' CD2' ' HD2' ' A' ' 103' ' ' PRO . 61.3 t-105 -39.64 138.57 0.98 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.523 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.5 Cg_endo -69.74 156.63 62.91 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -77.28 -48.14 18.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -46.24 -28.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.461 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 9.1 m-30 -101.56 -30.61 11.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.8 t -45.18 -29.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 -179.894 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.902 0.382 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.7 t -131.95 130.53 22.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.717 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HD3' HD21 ' A' ' 96' ' ' LEU . 64.1 Cg_exo -47.94 123.1 8.1 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.359 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 m -67.57 174.91 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -60.15 -48.56 81.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -75.85 -37.11 59.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -64.07 161.24 16.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -154.76 149.23 26.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.5 mt -88.91 125.19 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.628 HG21 HG21 ' A' ' 41' ' ' VAL . 12.7 m -130.23 -179.66 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.453 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 17.8 ttt180 -125.99 134.99 51.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 67' ' ' ASP . 60.6 t -70.87 147.25 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.507 HD12 ' HG2' ' A' ' 40' ' ' GLU . 21.9 mt -119.44 -51.7 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 32' ' ' ARG . 4.8 ptp180 -168.05 156.26 8.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.571 HG22 ' H ' ' A' ' 35' ' ' GLY . 34.8 m -123.61 121.14 26.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 111.133 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -18.0 37.18 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.571 ' H ' HG22 ' A' ' 33' ' ' THR . . . 122.24 -46.84 1.07 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -53.48 -174.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.624 ' O ' HD23 ' A' ' 38' ' ' LEU . 11.7 p-10 -81.34 40.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 37' ' ' ASN . 22.5 mt -135.6 169.88 16.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.661 ' O ' HG22 ' A' ' 51' ' ' VAL . 51.2 m-70 -152.05 132.26 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.507 ' HG2' HD12 ' A' ' 31' ' ' LEU . 26.2 tt0 -89.76 113.56 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.628 HG21 HG21 ' A' ' 28' ' ' VAL . 19.8 m -120.06 -175.71 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.461 ' HB3' HD11 ' A' ' 31' ' ' LEU . 6.1 pt-20 -145.89 147.88 32.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.473 ' HA ' HG12 ' A' ' 28' ' ' VAL . 12.0 p -89.63 178.35 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.09 -22.21 61.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -91.56 25.43 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.29 61.66 7.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -130.79 104.88 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -82.04 143.73 31.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.477 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 30.4 p90 -167.18 176.65 6.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -109.52 147.72 32.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.668 HG11 HG11 ' A' ' 71' ' ' VAL . 30.9 m -122.85 165.5 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.535 ' HB3' HG11 ' A' ' 80' ' ' VAL . 6.6 p -99.8 179.26 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.632 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.8 tpt -124.96 119.14 25.5 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -47.98 162.29 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.331 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.6 t -76.85 -47.44 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.56 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 31.8 pttt -60.46 -15.81 30.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.0 m-30 -95.48 30.26 2.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -67.15 80.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -175.02 -179.49 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -95.49 81.74 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.422 HG22 HG13 ' A' ' 63' ' ' ILE . 25.2 mt -70.77 150.36 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.482 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 26.0 t90 -76.73 87.07 3.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.422 HG13 HG22 ' A' ' 61' ' ' ILE . 47.1 mt -116.46 110.65 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.482 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 45.8 mtmt -120.66 172.05 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -66.31 125.92 27.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.453 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 111.4 -29.2 8.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 30' ' ' VAL . 5.5 t70 -64.65 125.92 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.815 ' O ' HD23 ' A' ' 69' ' ' LEU . 12.6 m-85 -89.01 136.27 33.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.815 HD23 ' O ' ' A' ' 68' ' ' PHE . 11.1 mt -140.31 154.91 46.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 85' ' ' SER . 66.6 mt -94.42 119.0 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.668 HG11 HG11 ' A' ' 51' ' ' VAL . 17.7 m -111.32 150.94 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.488 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -116.82 126.18 27.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 147.11 62.35 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.907 HD11 ' CG ' ' A' ' 83' ' ' GLU . 10.5 mt -121.19 149.59 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -67.09 -178.87 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -42.01 113.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.41 -134.81 1.78 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -53.76 175.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.5 18.53 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.535 HG11 ' HB3' ' A' ' 52' ' ' SER . 88.3 t -100.21 140.97 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.475 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 10.7 mmpt? -76.34 -66.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.488 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -132.32 178.02 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.907 ' CG ' HD11 ' A' ' 74' ' ' ILE . 8.3 mt-10 -128.22 136.9 51.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.632 HD12 ' SD ' ' A' ' 53' ' ' MET . 72.1 mt -52.56 147.94 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.2 m -122.0 -45.95 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -154.26 164.03 39.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.633 ' HA ' HD22 ' A' ' 69' ' ' LEU . 62.6 t -107.82 104.59 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.5 mt -67.43 145.09 55.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 90' ' ' LYS . 2.3 t -121.89 162.15 21.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 89' ' ' CYS . 62.8 mttp -36.97 -43.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 92' ' ' HIS . 1.4 p-10 -66.78 -61.39 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.876 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 93' ' ' VAL . 3.9 t-80 -36.96 -59.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 94' ' ' ARG . 58.4 t -36.29 -70.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' VAL . 1.8 mpt_? -36.2 -47.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -51.09 -64.84 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.405 HD21 ' HD3' ' A' ' 21' ' ' PRO . 40.8 mt -51.2 -41.81 60.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -56.58 -52.13 65.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -66.28 -33.46 75.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -69.16 -24.16 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.11 38.81 5.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -120.11 -45.37 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.524 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 58.6 t-105 -40.15 139.3 1.04 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.75 -172.69 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.623 2.216 . . . . 0.0 112.36 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -105.94 -41.6 5.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.0 -34.66 63.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.402 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 3.9 m-85 -102.09 17.16 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -95.7 -31.55 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.92 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 84.0 mt . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.845 0.355 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.598 HG13 ' HD2' ' A' ' 21' ' ' PRO . 59.3 t -139.13 139.14 22.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 111.165 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.598 ' HD2' HG13 ' A' ' 20' ' ' VAL . 65.1 Cg_exo -47.92 121.98 6.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.314 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.521 ' HB2' ' NE2' ' A' ' 25' ' ' GLN . 7.4 t -62.2 174.91 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 23' ' ' ASN . 29.6 t-20 -54.95 -52.82 61.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -75.15 -37.11 61.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.521 ' NE2' ' HB2' ' A' ' 22' ' ' SER . 18.2 mt-30 -53.12 167.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -159.8 148.84 17.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.463 HD11 HD13 ' A' ' 96' ' ' LEU . 96.1 mt -91.75 117.54 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.959 HG21 HG21 ' A' ' 41' ' ' VAL . 19.1 m -125.12 175.13 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.491 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 55.1 ttp180 -123.17 129.49 51.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.81 ' HA ' HG12 ' A' ' 41' ' ' VAL . 18.1 t -64.03 150.22 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.485 HD12 ' HG2' ' A' ' 40' ' ' GLU . 25.1 mt -121.48 -59.16 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -160.71 134.86 7.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.623 HG22 ' H ' ' A' ' 35' ' ' GLY . 9.0 m -104.37 120.72 49.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.589 0.709 . . . . 0.0 111.131 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -0.86 7.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.623 ' H ' HG22 ' A' ' 33' ' ' THR . . . 105.08 -50.56 0.83 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -52.2 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.926 0.394 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.421 ' O ' HD23 ' A' ' 38' ' ' LEU . 29.7 p30 -81.23 40.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.508 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 20.1 mt -134.85 166.9 21.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 38' ' ' LEU . 42.3 m-70 -153.06 137.54 16.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.485 ' HG2' HD12 ' A' ' 31' ' ' LEU . 37.4 tt0 -96.46 110.78 23.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.959 HG21 HG21 ' A' ' 28' ' ' VAL . 19.9 m -120.88 170.58 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -133.48 146.39 51.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -88.47 -178.87 5.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.84 -19.53 60.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -91.81 24.13 3.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.19 61.68 7.18 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -133.79 108.31 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.994 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -85.42 144.42 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.464 ' HZ ' HG11 ' A' ' 28' ' ' VAL . 20.1 p90 -167.67 173.34 8.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -107.09 155.93 19.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.484 HG11 HG11 ' A' ' 71' ' ' VAL . 19.3 m -139.13 147.35 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 t -93.96 163.89 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.751 ' SD ' HD12 ' A' ' 84' ' ' ILE . 4.9 tpt -96.34 132.27 26.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.496 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.6 Cg_exo -48.02 143.84 13.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.268 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.2 m -64.21 -8.69 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.627 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -93.19 -39.68 10.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.627 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 22.1 m-30 -82.26 38.33 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -64.22 76.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 57' ' ' TYR . 21.8 ttmt -175.96 137.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -55.56 89.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 62' ' ' TRP . 21.3 mt -76.34 153.65 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.468 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 28.3 t90 -78.29 88.09 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 56.1 mt -117.46 116.46 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 34.4 mtmt -115.45 171.65 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.26 146.57 50.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.48 -30.51 8.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 30' ' ' VAL . 7.2 t0 -65.48 134.06 52.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.491 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 71.5 m-85 -94.89 123.3 38.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 87' ' ' VAL . 11.9 mt -124.55 162.29 24.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 85' ' ' SER . 93.1 mt -104.44 116.3 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 84' ' ' ILE . 12.8 m -113.23 157.1 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.442 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 10.4 t70 -125.76 135.66 27.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.48 67.65 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.948 HD11 ' HG3' ' A' ' 83' ' ' GLU . 11.6 mt -124.19 153.0 30.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 76' ' ' GLU . 4.7 pt-20 -72.37 173.23 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 75' ' ' GLU . 34.9 mt-10 -35.7 111.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -163.15 -137.1 2.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -58.45 -174.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -83.17 21.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.9 t -100.16 138.11 25.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -82.98 -50.87 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.442 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -145.91 178.71 7.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.948 ' HG3' HD11 ' A' ' 74' ' ' ILE . 17.6 mt-10 -136.24 139.77 42.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.751 HD12 ' SD ' ' A' ' 53' ' ' MET . 64.8 mt -50.05 156.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.539 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 20.0 m -129.05 -43.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.539 ' CG ' ' O ' ' A' ' 85' ' ' SER . 92.5 m-85 -162.95 153.07 16.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.441 ' HA ' HD22 ' A' ' 69' ' ' LEU . 90.3 t -95.02 107.64 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 70' ' ' ILE . 29.1 mt -66.03 146.77 54.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 33.6 m -122.16 171.86 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -42.35 -61.09 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 94' ' ' ARG . 8.8 m-20 -54.56 -58.98 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.6 t-160 -36.47 -59.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.489 HG22 ' CH2' ' A' ' 102' ' ' TRP . 71.8 t -48.44 -38.17 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 91' ' ' ASP . 17.7 mmt180 -59.51 -47.89 83.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' LYS . 26.4 m -60.03 -66.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.463 HD13 HD11 ' A' ' 27' ' ' ILE . 95.9 mt -41.87 -44.02 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -60.88 -35.64 77.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 95' ' ' SER . 4.8 mmmm -77.36 -47.51 19.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -59.14 -26.15 64.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.87 45.01 3.47 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -121.29 -38.06 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.524 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 50.5 t-105 -47.11 139.14 7.36 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.602 0.715 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.6 Cg_endo -69.78 -174.54 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.673 2.248 . . . . 0.0 112.345 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -107.39 -38.95 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.59 -8.45 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -126.17 10.95 7.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -87.23 -35.23 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 76.2 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.884 0.373 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.5 t -130.54 132.56 24.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -48.0 119.36 3.83 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.657 2.238 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.7 p -74.6 178.57 5.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -28.35 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -92.3 -36.9 12.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.408 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 18.8 mt-30 -70.91 159.95 33.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -151.58 150.49 30.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -93.59 124.24 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.779 HG21 HG21 ' A' ' 41' ' ' VAL . 16.1 m -129.29 172.31 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.428 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 22.0 ttt180 -119.45 130.37 55.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.728 ' HA ' HG12 ' A' ' 41' ' ' VAL . 92.1 t -68.25 137.58 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 42' ' ' GLU . 22.2 mt -109.19 -53.58 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -162.74 161.21 26.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.541 HG22 ' H ' ' A' ' 35' ' ' GLY . 15.5 m -133.42 123.87 17.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -20.32 35.13 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.541 ' H ' HG22 ' A' ' 33' ' ' THR . . . 127.62 -49.22 0.93 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -51.75 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.55 ' O ' HD23 ' A' ' 38' ' ' LEU . 9.4 p-10 -81.33 40.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 37' ' ' ASN . 19.1 mt -134.8 164.78 26.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.592 ' CE1' HG21 ' A' ' 63' ' ' ILE . 40.9 m-70 -151.16 138.49 19.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -95.03 109.96 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.779 HG21 HG21 ' A' ' 28' ' ' VAL . 28.8 m -116.77 170.39 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.518 ' HB3' HD11 ' A' ' 31' ' ' LEU . 8.5 pt-20 -134.92 148.24 50.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.7 p -90.93 -176.27 4.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.492 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . . . -75.76 -23.77 55.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -90.39 25.78 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.54 62.22 6.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -130.74 103.3 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.923 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.419 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 51.4 mtt180 -82.49 143.01 31.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.672 ' HZ ' HG11 ' A' ' 28' ' ' VAL . 43.3 p90 -167.05 173.41 9.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.6 mt -108.81 155.89 20.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.473 HG11 HG11 ' A' ' 71' ' ' VAL . 35.8 m -137.13 150.1 26.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -93.58 170.84 9.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.716 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.4 tpt -108.77 128.45 25.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.702 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.558 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 64.8 Cg_exo -47.94 162.12 0.3 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -80.02 -38.47 31.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.8 pttp -70.02 -15.76 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 12.7 m-30 -97.72 28.87 3.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.81 81.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -173.5 178.8 2.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -88.54 91.75 8.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' A' ' 62' ' ' TRP . 17.7 mt -86.8 153.44 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.441 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 18.4 t-105 -74.73 92.95 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.592 HG21 ' CE1' ' A' ' 39' ' ' HIS . 52.2 mt -120.43 120.24 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 19.2 mtmt -141.17 178.37 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 -71.36 148.08 47.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.428 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 81.24 -6.69 62.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.464 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.25 123.67 28.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.825 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.854 ' O ' HD23 ' A' ' 69' ' ' LEU . 31.6 m-85 -88.73 130.11 35.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.854 HD23 ' O ' ' A' ' 68' ' ' PHE . 12.1 mt -142.61 150.16 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.408 ' CG2' ' HB3' ' A' ' 25' ' ' GLN . 89.1 mt -89.28 131.09 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.473 HG11 HG11 ' A' ' 51' ' ' VAL . 4.6 m -126.78 151.89 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.597 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 7.4 t70 -120.62 137.03 25.81 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.645 0.736 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.54 66.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.298 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.976 HD11 ' CG ' ' A' ' 83' ' ' GLU . 5.8 mt -114.64 159.54 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.416 ' N ' HG22 ' A' ' 74' ' ' ILE . 2.9 pt-20 -77.41 175.88 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -45.68 95.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.48 -115.58 1.07 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -77.92 -174.64 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -83.21 22.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.8 t -100.06 137.19 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.458 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 2.8 mmpt? -76.04 -57.39 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 72' ' ' ASP . . . -141.13 177.26 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.976 ' CG ' HD11 ' A' ' 74' ' ' ILE . 3.5 mt-10 -129.45 132.67 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.716 HD12 ' SD ' ' A' ' 53' ' ' MET . 73.9 mt -45.91 146.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 71.7 m -119.03 -46.67 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -153.41 168.74 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.614 ' HA ' HD22 ' A' ' 69' ' ' LEU . 95.3 t -111.43 112.59 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 40.1 mt -75.38 143.17 42.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.47 172.29 7.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -48.42 -42.84 33.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -70.4 -57.83 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.844 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.6 t-160 -37.66 -57.33 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.405 HG22 ' CZ3' ' A' ' 102' ' ' TRP . 65.7 t -45.52 -40.2 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 91' ' ' ASP . 20.6 mmt180 -53.73 -53.89 45.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 98' ' ' LYS . 71.2 m -52.73 -69.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.9 mt -38.09 -42.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -63.86 -44.71 92.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 95' ' ' SER . 13.0 ptmt -79.1 -14.07 59.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -85.8 -18.04 34.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.85 33.7 17.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -119.25 -41.92 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.523 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 60.9 t-105 -43.02 139.45 2.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.586 0.708 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.9 Cg_endo -69.78 -163.89 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -115.06 -39.23 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -58.92 -18.78 36.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -114.66 17.31 17.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 t -100.28 -31.65 11.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 76.8 mt . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.469 HG13 ' HD2' ' A' ' 21' ' ' PRO . 77.8 t -133.27 134.5 24.13 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.624 0.726 . . . . 0.0 111.1 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.498 ' HG2' HD11 ' A' ' 27' ' ' ILE . 64.2 Cg_exo -47.92 122.93 7.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.0 m -71.84 173.06 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -56.55 -48.07 78.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.449 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 20.7 mt-30 -71.78 -38.38 70.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -65.31 173.83 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -165.35 150.47 9.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.498 HD11 ' HG2' ' A' ' 21' ' ' PRO . 77.7 mt -91.44 135.15 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.781 HG21 HG21 ' A' ' 41' ' ' VAL . 17.6 m -141.49 162.39 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.45 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . 26.1 ttp180 -109.0 138.01 46.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 67' ' ' ASP . 92.5 t -71.87 150.66 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' CD1' ' HD3' ' A' ' 48' ' ' ARG . 43.8 mt -125.04 -61.83 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -150.82 177.54 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.49 HG22 ' H ' ' A' ' 35' ' ' GLY . 3.0 m -146.62 120.87 5.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.525 0.679 . . . . 0.0 111.139 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -5.94 17.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.23 . . . . 0.0 112.332 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.49 ' H ' HG22 ' A' ' 33' ' ' THR . . . 111.73 -47.14 1.07 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -56.59 -174.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -81.5 40.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 33' ' ' THR . 15.6 mt -132.54 167.7 19.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.51 ' CE1' HD13 ' A' ' 63' ' ' ILE . 66.7 m80 -153.28 140.82 19.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -95.37 103.1 14.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.781 HG21 HG21 ' A' ' 28' ' ' VAL . 33.7 m -108.03 169.16 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -133.32 146.87 51.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.0 p -89.02 175.03 7.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.504 ' HB2' ' HB2' ' A' ' 103' ' ' PRO . . . -72.29 -20.12 61.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -91.31 24.06 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.6 62.63 5.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -136.27 105.58 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 39.0 mtt85 -85.85 142.92 28.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.422 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 24.2 p90 -167.17 173.14 9.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.28 156.86 17.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.663 HG11 HG11 ' A' ' 71' ' ' VAL . 33.6 m -136.85 151.31 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.428 ' HB2' HG11 ' A' ' 80' ' ' VAL . 0.9 OUTLIER -97.14 162.37 13.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.537 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.9 tpt -95.87 131.47 29.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.546 0.689 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.527 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 66.1 Cg_exo -48.02 160.65 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.4 t -83.17 -15.99 48.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.555 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 14.7 pttm -93.47 -15.43 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.4 m-30 -93.64 23.33 4.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -57.99 79.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 57' ' ' TYR . 36.5 mttt -166.15 -176.43 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -99.19 84.43 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.427 HD12 ' CE ' ' A' ' 53' ' ' MET . 22.7 mt -79.82 136.93 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.578 ' CZ2' ' NZ ' ' A' ' 64' ' ' LYS . 7.4 t90 -74.81 86.97 2.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.51 HD13 ' CE1' ' A' ' 39' ' ' HIS . 72.8 mt -95.99 140.54 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.578 ' NZ ' ' CZ2' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -138.02 -177.36 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -82.57 143.31 31.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.81 -41.3 2.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 30' ' ' VAL . 4.5 t0 -43.01 119.81 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.462 ' O ' HD23 ' A' ' 69' ' ' LEU . 30.9 m-85 -88.68 130.22 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.589 HD22 ' HA ' ' A' ' 87' ' ' VAL . 13.6 mt -130.39 170.0 14.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 85' ' ' SER . 70.3 mt -109.72 114.29 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.663 HG11 HG11 ' A' ' 51' ' ' VAL . 14.6 m -109.24 151.93 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.484 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 32.9 t70 -119.29 133.13 23.76 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.605 0.717 . . . . 0.0 110.842 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.449 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 54.0 Cg_endo -69.75 148.09 64.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.865 HD11 ' HG3' ' A' ' 83' ' ' GLU . 12.0 mt -119.98 154.35 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.73 171.75 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -37.2 110.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.03 -133.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.67 -174.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.947 0.403 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 19.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.428 HG11 ' HB2' ' A' ' 52' ' ' SER . 87.8 t -100.18 137.73 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.45 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 8.7 mmpt? -82.09 -48.12 11.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.484 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -151.22 174.78 12.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.865 ' HG3' HD11 ' A' ' 74' ' ' ILE . 55.4 mt-10 -129.85 139.54 51.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.537 HD12 ' SD ' ' A' ' 53' ' ' MET . 62.7 mt -46.49 157.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.062 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.547 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 40.3 m -129.62 -41.06 1.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 85' ' ' SER . 89.4 m-85 -163.05 166.13 23.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.589 ' HA ' HD22 ' A' ' 69' ' ' LEU . 69.6 t -106.81 108.46 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.2 mt -74.7 133.25 42.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.426 ' O ' HG23 ' A' ' 93' ' ' VAL . 82.2 m -103.68 170.12 8.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -44.08 -44.45 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.47 -61.6 1.91 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 93' ' ' VAL . 3.2 t-160 -38.55 -58.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.447 HG13 ' CH2' ' A' ' 102' ' ' TRP . 99.4 t -36.48 -53.37 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -54.67 -58.14 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.6 m -40.57 -60.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.8 mt -53.11 -41.01 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -63.29 -44.15 95.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -67.92 -37.02 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -67.87 -28.56 67.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.67 39.0 4.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 102' ' ' TRP . 75.1 m-85 -119.7 -48.13 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.522 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 61.2 t-105 -36.86 139.47 0.47 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.543 0.687 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.8 148.06 63.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.226 . . . . 0.0 112.35 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -70.44 -45.27 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -48.48 -28.9 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.452 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 7.1 m-30 -104.83 -27.79 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.0 t -48.31 -29.25 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.3 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.873 0.368 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.4 t -130.09 131.17 23.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.426 ' HG3' ' CD1' ' A' ' 70' ' ' ILE . 65.4 Cg_exo -47.95 119.33 3.78 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.423 ' HB2' ' NE2' ' A' ' 25' ' ' GLN . 2.4 t -63.02 162.72 10.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -49.52 -40.47 37.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -79.17 -37.86 37.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.423 ' NE2' ' HB2' ' A' ' 22' ' ' SER . 21.9 mt-30 -61.74 165.39 5.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -158.34 145.79 18.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.972 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.9 mt -87.23 134.99 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.99 HG21 HG21 ' A' ' 41' ' ' VAL . 19.2 m -139.8 176.85 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -123.67 133.18 53.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.783 ' HA ' HG12 ' A' ' 41' ' ' VAL . 76.6 t -66.86 155.82 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.474 ' N ' HG12 ' A' ' 30' ' ' VAL . 16.2 mt -130.68 -54.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.6 ttp85 -162.66 145.54 10.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.524 HG22 ' H ' ' A' ' 35' ' ' GLY . 4.6 m -119.81 120.67 30.29 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.545 0.688 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -1.69 8.89 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.524 ' H ' HG22 ' A' ' 33' ' ' THR . . . 104.83 -46.76 1.14 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.533 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -54.7 -174.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -81.08 40.7 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 33' ' ' THR . 32.6 mt -133.5 162.78 30.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.452 ' O ' HG22 ' A' ' 51' ' ' VAL . 58.5 m-70 -149.63 138.48 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HG2' HD12 ' A' ' 31' ' ' LEU . 30.1 tt0 -98.26 114.7 27.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.99 HG21 HG21 ' A' ' 28' ' ' VAL . 19.4 m -126.06 174.29 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -134.82 150.67 50.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 p -93.29 -179.38 5.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.66 -23.9 62.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.141 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -90.12 23.99 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.29 62.04 6.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -131.46 105.07 7.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.467 ' HD3' HD13 ' A' ' 31' ' ' LEU . 32.0 mtt180 -83.36 145.82 28.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -169.26 175.82 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.5 mt -107.26 156.0 19.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.715 HG11 HG11 ' A' ' 71' ' ' VAL . 35.8 m -137.82 146.53 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 t -94.92 159.89 14.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.743 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.1 tpt -96.94 130.79 29.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 Cg_exo -47.99 163.51 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.5 p -83.32 -21.25 33.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.59 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 12.8 pttt -84.75 -25.22 28.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.59 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 15.6 m-30 -89.66 37.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -69.15 75.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -159.66 -175.0 4.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.98 79.38 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.442 HD12 ' CE ' ' A' ' 53' ' ' MET . 24.1 mt -69.89 141.54 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.455 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 21.4 t90 -79.14 87.24 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.954 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.421 HG13 HG22 ' A' ' 61' ' ' ILE . 50.4 mt -110.72 111.73 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.455 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 5.3 mtmp? -114.61 -178.87 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.3 tpt85 -68.16 146.68 53.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.49 -34.64 2.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.555 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.555 ' O ' HG23 ' A' ' 30' ' ' VAL . 25.4 m-20 -50.02 120.2 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.636 ' O ' HD23 ' A' ' 69' ' ' LEU . 13.9 m-85 -88.35 138.08 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 68' ' ' PHE . 18.2 mt -141.0 163.98 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 85' ' ' SER . 66.9 mt -104.65 125.85 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.715 HG11 HG11 ' A' ' 51' ' ' VAL . 16.1 m -119.43 156.44 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.493 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -123.78 133.76 24.85 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.57 0.7 . . . . 0.0 110.89 179.861 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 148.9 65.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.621 2.214 . . . . 0.0 112.349 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.94 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.1 mt -118.19 155.06 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -76.26 179.83 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -41.91 98.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.44 -121.25 1.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -74.95 -174.96 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 20.32 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.2 t -100.17 140.15 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.461 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 6.4 mmpt? -79.66 -51.54 9.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.493 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -147.44 179.06 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.12 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.94 ' HG3' HD11 ' A' ' 74' ' ' ILE . 27.2 mt-10 -135.21 139.15 44.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.743 HD12 ' SD ' ' A' ' 53' ' ' MET . 67.2 mt -50.21 151.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ILE . 14.1 m -124.85 -43.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -153.33 161.51 42.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.63 ' HA ' HD22 ' A' ' 69' ' ' LEU . 96.6 t -105.93 107.04 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.93 157.51 38.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' CYS . . . . . 0.581 ' O ' HG23 ' A' ' 93' ' ' VAL . 99.2 m -137.71 176.56 8.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -49.02 -43.44 40.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 92' ' ' HIS . 40.9 m-20 -68.28 -64.21 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t-160 -36.72 -58.37 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 89' ' ' CYS . 70.7 t -42.4 -40.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 91' ' ' ASP . 8.6 mmm180 -59.56 -49.27 78.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.4 t -55.86 -64.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 71.6 mt -45.18 -43.34 9.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -58.86 -51.9 68.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -61.89 -45.84 91.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -59.33 -26.81 65.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.24 41.87 4.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -120.25 -42.04 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.533 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 54.0 t-105 -42.64 139.42 2.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.5 Cg_endo -69.77 -178.84 2.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -101.75 -46.37 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.56 -34.8 38.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -102.69 24.44 10.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -103.73 -34.27 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.3 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.874 0.368 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t -129.06 130.84 23.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 0.0 111.128 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HD3' HD21 ' A' ' 96' ' ' LEU . 65.0 Cg_exo -47.95 125.62 11.81 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m -76.03 174.65 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -55.84 -46.69 78.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.437 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 9.7 mt-30 -75.17 -43.99 49.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.46 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 55.1 mt-30 -64.26 148.35 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -143.87 152.33 41.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.7 mt -87.3 139.04 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.091 HG21 HG21 ' A' ' 41' ' ' VAL . 35.0 m -147.12 155.58 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.48 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 17.5 ttt180 -105.35 125.77 51.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.793 ' HA ' HG12 ' A' ' 41' ' ' VAL . 20.9 t -62.87 147.71 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.7 mt -118.72 -61.27 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -150.38 168.52 23.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.641 HG22 ' H ' ' A' ' 35' ' ' GLY . 15.4 m -137.49 119.93 11.24 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -9.63 26.58 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.641 ' H ' HG22 ' A' ' 33' ' ' THR . . . 109.42 -41.98 2.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -57.06 -174.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -81.2 40.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 52' ' ' SER . 86.0 mt -135.94 163.08 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.537 ' O ' HG22 ' A' ' 51' ' ' VAL . 46.6 m80 -145.48 134.64 22.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -94.84 116.38 28.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 1.091 HG21 HG21 ' A' ' 28' ' ' VAL . 23.5 m -125.7 171.41 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -128.78 148.04 50.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 p -95.19 173.75 7.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.171 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.26 -24.77 66.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -88.89 24.96 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.12 55.51 28.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -124.58 109.22 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -88.34 135.64 33.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -160.99 179.93 8.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 mt -112.35 157.8 20.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.97 HG11 HG11 ' A' ' 71' ' ' VAL . 30.3 m -130.94 148.57 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.522 ' HA ' HD23 ' A' ' 38' ' ' LEU . 1.1 t -93.43 159.79 15.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.636 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.6 tpt -101.04 121.57 51.71 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.555 0.693 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.2 Cg_exo -47.96 144.63 11.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.9 m -67.48 -28.64 68.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.539 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 3.7 pttm -78.1 -18.2 55.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.539 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.5 m-30 -93.35 33.06 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 80.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -174.98 135.17 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -57.38 90.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.48 150.8 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.49 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 24.5 t90 -78.36 94.79 4.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.491 HG21 ' CD2' ' A' ' 39' ' ' HIS . 63.7 mt -123.31 105.48 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.49 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 7.1 mtmp? -109.22 -179.54 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -78.77 146.89 33.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.48 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 87.13 -18.61 35.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.443 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.735 ' O ' HG23 ' A' ' 30' ' ' VAL . 4.8 m-20 -74.74 131.9 41.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.914 ' O ' HD23 ' A' ' 69' ' ' LEU . 49.2 m-85 -88.35 146.35 25.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.914 HD23 ' O ' ' A' ' 68' ' ' PHE . 10.4 mt -148.24 163.96 35.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 25' ' ' GLN . 90.9 mt -107.4 111.12 34.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.97 HG11 HG11 ' A' ' 51' ' ' VAL . 32.6 m -96.66 160.13 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.494 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 1.5 p30 -121.13 116.48 31.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.718 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.437 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 53.4 Cg_endo -69.84 138.96 38.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.741 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.5 mt -117.97 164.57 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.473 ' N ' HG22 ' A' ' 74' ' ' ILE . 1.8 pm0 -71.15 -177.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -52.99 107.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.06 -122.93 1.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -66.39 -174.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -79.6 13.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.0 t -100.42 141.97 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.434 ' NZ ' ' HA ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -87.15 -40.15 14.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.494 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -152.38 176.16 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.741 ' HG3' HD11 ' A' ' 74' ' ' ILE . 45.7 mt-10 -129.62 141.18 50.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.636 HD12 ' SD ' ' A' ' 53' ' ' MET . 89.3 mt -53.77 135.18 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.7 m -107.21 -50.42 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -152.65 170.7 19.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.427 ' HA ' HD22 ' A' ' 69' ' ' LEU . 95.0 t -109.61 108.0 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 66.5 mt -66.68 143.24 57.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.7 t -110.88 171.39 7.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -50.32 -47.13 55.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -66.78 -49.29 66.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -45.06 -54.01 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.531 HG13 ' CH2' ' A' ' 102' ' ' TRP . 89.5 t -51.76 -27.4 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -75.81 -44.92 38.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' LEU . 74.5 m -58.47 -66.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.432 HD21 ' HD3' ' A' ' 21' ' ' PRO . 46.3 mt -36.97 -47.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -49.53 -55.86 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -48.84 -59.46 3.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -58.97 -21.26 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 88.26 34.47 9.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -103.63 -14.52 16.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TRP . . . . . 0.531 ' CH2' HG13 ' A' ' 93' ' ' VAL . 61.9 t-105 -76.81 136.84 66.59 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.75 158.8 55.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -77.16 -44.34 30.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -49.94 -31.87 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PHE . . . . . 0.475 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 8.0 m-30 -101.19 -15.56 17.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.0 t -60.41 -26.45 66.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 m -165.82 170.05 14.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.89 0.376 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -95.74 155.56 16.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.06 101.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.9 m -81.24 151.39 28.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m -84.76 138.01 32.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -162.78 48.02 0.33 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -71.58 -41.33 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.77 ' O ' HG23 ' A' ' 20' ' ' VAL . 48.1 t-80 -127.29 171.45 11.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -49.4 102.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 18' ' ' HIS . 97.7 t -121.97 139.74 30.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.63 ' HD2' HG13 ' A' ' 20' ' ' VAL . 65.2 Cg_exo -47.95 122.67 7.53 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.734 2.289 . . . . 0.0 112.312 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -68.28 -176.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -65.34 -44.52 87.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -83.4 -36.18 24.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -60.72 159.92 10.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -154.68 152.35 29.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.528 ' CD1' HD13 ' A' ' 96' ' ' LEU . 85.7 mt -95.32 129.45 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.996 HG21 HG21 ' A' ' 41' ' ' VAL . 34.5 m -133.26 176.52 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.436 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 15.5 ttp180 -122.96 133.76 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 67' ' ' ASP . 89.8 t -70.75 152.27 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 30' ' ' VAL . 11.9 mt -126.54 -50.32 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 32' ' ' ARG . 7.5 ttm105 -165.88 159.54 16.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.631 HG22 ' H ' ' A' ' 35' ' ' GLY . 7.3 m -131.5 123.05 19.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -8.25 23.13 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.702 2.268 . . . . 0.0 112.312 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.631 ' H ' HG22 ' A' ' 33' ' ' THR . . . 112.77 -46.3 1.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -52.17 -174.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -81.7 40.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 52' ' ' SER . 41.4 mt -137.67 164.83 27.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.646 ' O ' HG22 ' A' ' 51' ' ' VAL . 33.4 m-70 -150.19 140.7 22.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -93.8 125.96 38.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.996 HG21 HG21 ' A' ' 28' ' ' VAL . 14.1 m -129.98 176.22 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -138.26 142.05 39.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.3 p -86.89 173.91 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.605 ' O ' ' HB2' ' A' ' 105' ' ' ALA . . . -69.35 -21.21 63.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -91.21 24.88 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.66 63.86 4.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.527 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -134.69 107.92 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -84.42 140.06 31.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.597 ' CZ ' ' CG2' ' A' ' 41' ' ' VAL . 34.0 p90 -163.7 178.84 7.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -113.0 156.13 23.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.701 HG11 HG11 ' A' ' 71' ' ' VAL . 27.1 m -133.18 155.42 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.717 ' HA ' HD23 ' A' ' 38' ' ' LEU . 1.3 t -101.11 160.58 14.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.8 tpt -95.96 130.14 32.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.704 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.6 Cg_exo -47.97 139.35 20.23 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.1 p -68.83 -10.16 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.584 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 10.0 pttt -93.48 -26.15 17.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.584 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 13.2 m-30 -87.2 29.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -58.4 79.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 57' ' ' TYR . 16.8 pttm -170.85 179.06 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -90.35 86.83 6.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mt -81.44 146.83 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -78.51 104.48 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.7 mt -124.95 136.47 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -130.46 178.59 6.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -80.48 141.01 35.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.55 -26.28 8.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 30' ' ' VAL . 14.0 t0 -50.07 126.53 14.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.436 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 50.5 m-85 -88.32 124.57 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 87' ' ' VAL . 14.1 mt -129.52 163.86 25.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 85' ' ' SER . 77.3 mt -104.52 111.83 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.701 HG11 HG11 ' A' ' 51' ' ' VAL . 11.7 m -108.67 154.22 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.614 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 27.6 t70 -124.16 135.28 26.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.544 0.688 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 147.24 62.46 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.956 HD11 ' HG3' ' A' ' 83' ' ' GLU . 8.6 mt -116.68 157.01 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 pm0 -64.46 -177.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -57.79 91.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.16 -119.8 2.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -70.99 -174.83 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.918 0.39 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -83.12 20.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.453 HG11 ' HB2' ' A' ' 52' ' ' SER . 59.1 t -100.27 140.98 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.476 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 10.7 mmpt? -78.5 -58.29 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.614 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -143.91 179.22 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.956 ' HG3' HD11 ' A' ' 74' ' ' ILE . 7.0 mt-10 -129.72 140.55 51.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mt -53.12 143.44 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 70' ' ' ILE . 50.2 m -113.46 -46.35 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -156.58 166.07 34.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.513 ' HA ' HD22 ' A' ' 69' ' ' LEU . 87.8 t -106.99 107.89 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.8 mt -70.25 138.85 51.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 90' ' ' LYS . 91.2 m -109.98 160.72 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 94' ' ' ARG . 33.7 ttpt -36.84 -39.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.44 -62.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -38.63 -63.66 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.84 HG13 ' CZ3' ' A' ' 102' ' ' TRP . 98.2 t -37.21 -56.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.41 ' CD ' ' O ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -54.22 -45.77 72.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.7 m -53.03 -57.3 10.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.528 HD13 ' CD1' ' A' ' 27' ' ' ILE . 71.0 mt -52.2 -38.5 58.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -61.03 -42.5 98.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -71.18 -45.85 62.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.47 -23.1 65.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.68 51.5 2.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -130.58 -40.75 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.84 ' CZ3' HG13 ' A' ' 93' ' ' VAL . 61.2 t-105 -44.41 139.48 3.38 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.551 0.691 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.521 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.9 Cg_endo -69.74 162.86 40.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -85.33 -44.67 12.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 44' ' ' ALA . . . -48.36 -26.96 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 109' ' ' VAL . 7.2 m-30 -103.08 -33.12 9.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 t -41.11 -34.34 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -84.49 32.84 0.51 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 106' ' ' PHE . 52.0 t -120.89 -52.23 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.41 89.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -49.62 -46.9 49.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -77.35 -50.71 12.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -48.98 143.52 5.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.436 ' OD1' ' C ' ' A' ' 114' ' ' ASN . 24.6 p30 -154.62 157.76 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.8 m -99.64 127.63 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.66 -158.2 20.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 129.26 17.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.7 m -76.91 110.19 11.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.9 t -53.1 -59.52 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.5 m -65.71 172.08 3.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.0 t -66.88 129.82 41.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.12 -64.69 2.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.3 p -148.38 176.23 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.4 p -137.8 140.3 40.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.66 59.19 2.52 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -154.62 136.6 14.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.727 ' O ' HG23 ' A' ' 20' ' ' VAL . 53.9 t-80 -107.29 169.26 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.3 mt -43.74 130.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 18' ' ' HIS . 91.8 t -139.74 136.46 17.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 111.128 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.65 ' CG ' HD11 ' A' ' 27' ' ' ILE . 64.9 Cg_exo -47.96 121.79 6.38 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 m -73.68 176.6 6.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -57.45 -53.07 62.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.431 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 8.5 pt20 -75.08 -37.67 61.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 11.5 mt-30 -69.42 142.07 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -133.99 157.86 44.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.65 HD11 ' CG ' ' A' ' 21' ' ' PRO . 83.4 mt -96.13 122.49 47.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.884 HG21 HG21 ' A' ' 41' ' ' VAL . 17.0 m -127.35 178.72 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.484 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . 26.5 ttp180 -124.34 132.64 53.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 67' ' ' ASP . 46.2 t -65.08 152.03 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.68 HD12 ' HG2' ' A' ' 40' ' ' GLU . 33.8 mt -127.55 -60.9 1.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -161.28 130.73 4.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.775 HG22 ' H ' ' A' ' 35' ' ' GLY . 32.0 m -103.1 121.45 48.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.56 0.695 . . . . 0.0 111.161 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -0.3 6.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.775 ' H ' HG22 ' A' ' 33' ' ' THR . . . 101.01 -46.01 1.35 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -51.83 -174.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -81.29 40.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.664 HD23 ' HA ' ' A' ' 52' ' ' SER . 40.3 mt -137.29 168.06 20.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.433 ' NE2' HD12 ' A' ' 63' ' ' ILE . 53.1 m80 -150.84 134.46 16.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.68 ' HG2' HD12 ' A' ' 31' ' ' LEU . 31.4 tt0 -92.61 113.24 25.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.884 HG21 HG21 ' A' ' 28' ' ' VAL . 33.8 m -120.35 173.08 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HB3' HD11 ' A' ' 31' ' ' LEU . 6.9 pt-20 -137.05 147.54 46.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.9 p -90.08 -179.5 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.516 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . . . -74.58 -23.56 58.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -88.7 24.04 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.87 62.88 5.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -133.99 104.05 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.446 ' HD3' HD13 ' A' ' 31' ' ' LEU . 47.5 mtt180 -81.99 144.42 30.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.692 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 32.6 p90 -165.5 179.46 6.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -117.84 156.82 27.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.743 HG11 HG11 ' A' ' 71' ' ' VAL . 33.1 m -136.89 158.2 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.664 ' HA ' HD23 ' A' ' 38' ' ' LEU . 5.5 t -99.56 162.23 13.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.772 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.3 tpt -99.97 130.85 25.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.2 Cg_exo -47.94 158.35 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 t -77.01 -28.1 54.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 18.1 pttt -81.87 -21.85 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 10.9 m-30 -86.61 32.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -66.32 79.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -175.12 149.49 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -66.9 88.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.3 mt -77.03 150.7 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.498 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 25.9 t90 -78.83 88.77 4.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.433 HD12 ' NE2' ' A' ' 39' ' ' HIS . 65.0 mt -117.62 110.34 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 28.2 mtmt -114.07 169.99 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -68.3 146.68 53.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.58 -38.02 3.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.737 ' O ' HG23 ' A' ' 30' ' ' VAL . 5.9 m-20 -56.12 131.54 47.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.782 ' O ' HD23 ' A' ' 69' ' ' LEU . 60.8 m-85 -90.54 139.78 30.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 68' ' ' PHE . 13.4 mt -139.87 168.61 19.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 25' ' ' GLN . 96.2 mt -111.54 111.6 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.743 HG11 HG11 ' A' ' 51' ' ' VAL . 28.9 m -102.88 157.66 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.617 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -119.71 128.63 25.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.431 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 54.3 Cg_endo -69.73 143.75 51.96 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.956 HD11 ' CG ' ' A' ' 83' ' ' GLU . 9.5 mt -117.1 154.57 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -75.28 178.41 5.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.89 111.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.89 -128.16 0.93 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.77 -174.75 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -83.37 21.29 1.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.442 ' C ' ' HE2' ' A' ' 81' ' ' LYS . 43.1 t -100.24 136.66 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.476 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 9.9 mmpt? -76.04 -56.76 4.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.617 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -143.44 -176.82 5.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.064 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.956 ' CG ' HD11 ' A' ' 74' ' ' ILE . 16.3 mt-10 -133.24 137.08 45.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.772 HD12 ' SD ' ' A' ' 53' ' ' MET . 61.1 mt -52.33 142.78 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.5 m -116.37 -45.52 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -154.74 168.71 25.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.551 ' HA ' HD22 ' A' ' 69' ' ' LEU . 92.3 t -110.67 123.36 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.87 159.72 18.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.419 ' O ' HG23 ' A' ' 93' ' ' VAL . 15.4 m -134.43 176.6 8.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 mtmm -51.66 -42.13 61.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 94' ' ' ARG . 55.8 m-20 -70.28 -61.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.2 t-160 -37.45 -54.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.711 HG22 ' CZ3' ' A' ' 102' ' ' TRP . 77.6 t -47.12 -41.28 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 91' ' ' ASP . 33.8 mmm-85 -54.0 -56.22 19.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.6 m -51.33 -67.66 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.7 mt -45.32 -44.13 11.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -60.06 -32.64 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -77.29 -39.34 48.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.72 -24.95 65.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.5 31.67 7.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -107.74 -41.75 4.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.711 ' CZ3' HG22 ' A' ' 93' ' ' VAL . 61.3 t-105 -45.21 139.46 4.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.538 0.685 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.581 ' HG2' ' CD2' ' A' ' 106' ' ' PHE . 53.7 Cg_endo -69.79 155.61 65.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 106' ' ' PHE . 35.5 tt0 -73.45 -57.9 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -38.76 -28.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.581 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 3.4 m-30 -101.51 -30.56 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 104' ' ' GLU . 7.2 t -48.65 -28.14 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.809 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -90.24 28.35 1.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 50.5 t -121.82 -42.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -77.16 -60.81 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 110' ' ' ALA . 13.7 tt0 -34.56 -49.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -53.9 -57.45 10.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -39.86 144.13 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.82 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -102.23 -42.83 5.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.2 m -46.08 140.38 3.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -148.49 -78.48 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -6.03 17.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.6 p -137.22 171.31 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 t -82.85 -53.11 6.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -167.95 147.02 4.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.827 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -111.79 93.57 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.7 57.19 0.2 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -79.99 154.91 27.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -59.96 114.28 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.42 -68.05 1.48 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -126.62 158.68 35.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.836 ' O ' HG23 ' A' ' 20' ' ' VAL . 46.7 t-80 -174.94 171.35 3.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 68.7 mt -41.64 127.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 18' ' ' HIS . 79.3 t -138.3 135.93 18.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.152 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.492 ' HG2' HD11 ' A' ' 27' ' ' ILE . 64.9 Cg_exo -47.93 132.81 22.59 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.716 2.277 . . . . 0.0 112.356 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.438 ' CB ' ' OE1' ' A' ' 25' ' ' GLN . 14.2 t -79.28 174.63 11.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -59.6 -45.59 91.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -77.04 -44.49 30.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.438 ' OE1' ' CB ' ' A' ' 22' ' ' SER . 15.1 mt-30 -57.21 169.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -161.28 148.44 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.492 HD11 ' HG2' ' A' ' 21' ' ' PRO . 66.6 mt -90.22 131.17 38.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 43' ' ' THR . 8.8 m -136.32 176.76 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -124.0 130.98 53.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.592 ' HA ' HG12 ' A' ' 41' ' ' VAL . 53.2 t -66.92 146.62 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' A' ' 42' ' ' GLU . 25.5 mt -117.94 -49.92 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -167.21 156.98 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 38' ' ' LEU . 2.4 m -127.4 119.17 21.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 0.0 111.165 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.37 5.76 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.47 -49.36 0.9 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -53.49 -174.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -81.18 40.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 33' ' ' THR . 49.8 mt -132.99 163.56 28.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.665 ' O ' HG22 ' A' ' 51' ' ' VAL . 56.5 m80 -151.81 122.91 7.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -79.84 104.76 10.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.762 HG23 ' CZ ' ' A' ' 49' ' ' PHE . 18.1 m -109.71 172.92 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' A' ' 31' ' ' LEU . 13.8 pt-20 -135.35 149.63 49.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.488 ' HA ' HG12 ' A' ' 28' ' ' VAL . 24.5 p -92.27 -178.25 4.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.59 -27.21 60.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -87.98 26.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.9 67.86 1.99 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -136.3 110.53 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.914 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -83.61 141.07 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.762 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 24.7 p90 -164.51 167.95 18.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -105.86 148.85 27.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 39' ' ' HIS . 27.5 m -130.02 155.81 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -101.07 159.9 14.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.747 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.6 tpt -97.5 129.26 32.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.575 0.702 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.56 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.2 Cg_exo -47.96 160.09 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 m -74.04 -47.58 35.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.549 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 2.0 pttm -60.64 -26.02 66.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 13.0 m-30 -87.98 32.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 10.2 ttp-105 -66.59 77.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 59' ' ' LYS . 6.2 mtpm? -162.46 -177.78 5.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -100.07 78.01 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.469 HD12 ' CE ' ' A' ' 53' ' ' MET . 21.9 mt -69.54 139.13 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.437 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 23.4 t90 -76.02 86.99 2.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.419 HG13 HG22 ' A' ' 61' ' ' ILE . 51.4 mt -110.51 111.82 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.095 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.437 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 5.2 mtmp? -112.07 178.55 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 1.9 tmt_? -71.36 138.0 48.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.09 -28.04 17.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.456 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.7 t0 -61.39 122.99 16.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.636 ' O ' HD23 ' A' ' 69' ' ' LEU . 14.8 m-85 -88.71 132.88 34.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 68' ' ' PHE . 10.9 mt -137.58 159.36 42.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 85' ' ' SER . 81.4 mt -100.56 115.44 41.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 84' ' ' ILE . 5.4 m -111.67 157.59 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.078 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.436 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 23.5 t0 -127.43 134.24 25.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.658 0.742 . . . . 0.0 110.861 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 150.73 68.64 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.868 HD11 ' HG3' ' A' ' 83' ' ' GLU . 9.8 mt -119.76 155.8 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -74.97 -177.97 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -39.02 116.0 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.54 -139.93 2.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.08 -174.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -83.91 23.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.9 t -99.92 140.83 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.458 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 6.0 mmpt? -83.06 -54.62 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.436 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -145.22 -177.7 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.868 ' HG3' HD11 ' A' ' 74' ' ' ILE . 52.3 mt-10 -138.92 141.28 38.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.747 HD12 ' SD ' ' A' ' 53' ' ' MET . 40.2 mt -51.95 153.48 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.423 ' N ' HG22 ' A' ' 84' ' ' ILE . 68.5 m -125.15 -43.27 1.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -157.07 154.89 30.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.601 ' HA ' HD22 ' A' ' 69' ' ' LEU . 90.0 t -97.47 103.92 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.6 140.38 56.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 90' ' ' LYS . 27.4 p -120.74 168.12 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 89' ' ' CYS . 42.5 mtmt -36.61 -65.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 92' ' ' HIS . 1.2 m-20 -50.05 -63.11 1.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 93' ' ' VAL . 2.3 t-160 -36.76 -66.14 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' HIS . 88.5 t -34.61 -60.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.99 -46.13 16.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.3 m -54.1 -65.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 65.2 mt -46.99 -40.99 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -59.88 -47.07 87.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -66.03 -42.4 89.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.5 -25.11 67.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.58 42.53 4.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -122.25 -39.92 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.525 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 56.7 t-105 -43.29 139.26 2.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.563 0.697 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.9 Cg_endo -69.75 170.37 16.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.49 -37.3 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.28 -40.37 74.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -100.01 26.31 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -101.01 -40.76 7.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -84.7 26.66 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.5 m -116.63 -27.98 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.173 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -95.52 41.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -97.92 -66.42 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.85 46.15 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -88.47 -41.11 12.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -153.48 159.55 42.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.2 t -40.68 139.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.85 86.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 131.94 22.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.728 2.285 . . . . 0.0 112.314 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.4 t -104.85 166.11 10.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 t -81.37 158.31 24.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.2 p -174.32 130.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 p -112.87 166.43 11.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.86 -86.69 0.69 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -111.19 103.1 11.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.372 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -170.15 168.35 8.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.43 44.69 0.55 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -83.56 70.09 10.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -158.58 171.76 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 86.8 mt -49.74 123.3 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t -130.27 130.41 23.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.737 . . . . 0.0 111.152 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.421 ' HD3' HD21 ' A' ' 96' ' ' LEU . 64.7 Cg_exo -47.99 119.77 4.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.233 . . . . 0.0 112.397 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -66.04 178.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.797 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -62.33 -47.49 84.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -78.89 -31.21 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -68.54 146.54 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -139.44 154.44 47.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.409 HD11 HD13 ' A' ' 96' ' ' LEU . 68.6 mt -92.64 127.73 44.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.402 HG21 HG21 ' A' ' 41' ' ' VAL . 15.6 m -133.15 177.89 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.427 ' NH2' ' NH2' ' A' ' 65' ' ' ARG . 28.3 ttt180 -124.21 137.79 54.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 67' ' ' ASP . 12.8 t -75.11 152.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 mt -125.75 -55.28 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.9 mtm-85 -154.93 177.96 10.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.498 HG22 ' H ' ' A' ' 35' ' ' GLY . 4.0 m -149.98 118.38 3.68 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.578 0.704 . . . . 0.0 111.128 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -7.89 22.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.498 ' H ' HG22 ' A' ' 33' ' ' THR . . . 109.37 -39.73 2.8 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -60.49 -174.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 1.4 p-10 -80.89 40.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 37' ' ' ASN . 46.2 mt -136.12 161.82 34.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.645 ' O ' HG22 ' A' ' 51' ' ' VAL . 48.2 m80 -149.99 129.76 13.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.445 ' OE2' ' C ' ' A' ' 49' ' ' PHE . 3.3 tp10 -85.07 115.69 23.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 30' ' ' VAL . 21.2 m -120.98 172.55 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.15 151.96 51.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.2 p -98.55 173.04 7.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.124 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.83 -26.04 68.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -90.89 24.57 2.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.63 44.48 96.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -110.4 103.3 11.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -85.27 144.13 28.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.593 ' CE1' HG23 ' A' ' 41' ' ' VAL . 12.9 p90 -166.62 -176.51 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.438 HD21 ' OE1' ' A' ' 40' ' ' GLU . 19.4 mt -114.35 152.46 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.698 HG11 HG11 ' A' ' 71' ' ' VAL . 17.4 m -132.29 144.1 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -93.98 158.57 15.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.798 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.8 tpt -95.96 132.42 27.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.573 0.702 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.548 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.4 Cg_exo -47.95 167.56 0.1 OUTLIER 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.8 p -83.78 -34.35 24.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.565 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.1 pttm -76.07 -16.5 59.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.8 m-30 -94.19 23.76 4.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.34 79.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 57' ' ' TYR . 15.9 tptt -175.07 134.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -56.13 92.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.5 mt -81.55 146.38 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -75.46 102.2 5.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.467 HD12 ' NE2' ' A' ' 39' ' ' HIS . 39.3 mt -122.62 138.09 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' CE ' ' O ' ' A' ' 63' ' ' ILE . 9.2 mmpt? -132.74 164.44 26.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.427 ' NH2' ' NH2' ' A' ' 29' ' ' ARG . 1.9 tmt_? -66.75 151.81 46.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.53 -31.73 3.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.707 ' O ' HG23 ' A' ' 30' ' ' VAL . 6.0 t0 -55.81 125.72 22.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 106' ' ' PHE . 66.6 m-85 -88.66 123.48 33.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.623 HD22 ' HA ' ' A' ' 87' ' ' VAL . 13.8 mt -129.0 160.34 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.5 mt -99.19 122.77 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.698 HG11 HG11 ' A' ' 51' ' ' VAL . 33.0 m -115.68 152.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.473 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 9.5 t0 -119.74 129.16 25.5 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.645 0.736 . . . . 0.0 110.824 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.15 67.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.706 2.271 . . . . 0.0 112.301 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.94 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.8 mt -121.7 152.58 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.16 -178.55 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -40.24 118.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -169.07 -135.25 1.86 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -62.83 -174.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -83.11 22.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.02 145.37 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -88.24 -54.51 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.473 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -143.8 179.03 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.067 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.94 ' HG3' HD11 ' A' ' 74' ' ' ILE . 50.9 mt-10 -134.18 137.39 44.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.798 HD12 ' SD ' ' A' ' 53' ' ' MET . 50.6 mt -51.12 139.7 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.456 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 37.2 m -114.09 -42.1 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.456 ' CG ' ' O ' ' A' ' 85' ' ' SER . 91.3 m-85 -160.16 161.23 33.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.623 ' HA ' HD22 ' A' ' 69' ' ' LEU . 46.8 t -103.31 118.44 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 23.2 mt -76.57 144.07 39.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 90' ' ' LYS . 5.5 t -118.43 160.25 22.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 89' ' ' CYS . 0.1 OUTLIER -35.17 -46.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 94' ' ' ARG . 1.1 t0 -68.55 -57.64 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.3 t-160 -37.43 -55.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.438 HG22 ' CZ3' ' A' ' 102' ' ' TRP . 77.2 t -49.74 -40.27 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 91' ' ' ASP . 20.6 mmt180 -53.97 -50.13 67.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 98' ' ' LYS . 51.0 m -59.29 -68.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.421 HD21 ' HD3' ' A' ' 21' ' ' PRO . 78.8 mt -38.28 -39.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -64.83 -43.17 93.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 95' ' ' SER . 2.0 mtpm? -72.41 -38.25 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.8 -25.42 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.75 37.09 6.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.497 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -115.98 -35.86 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.527 ' CD2' ' HD2' ' A' ' 103' ' ' PRO . 59.3 t-105 -49.56 139.35 15.38 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.524 0.678 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.527 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.4 Cg_endo -69.84 -165.09 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -113.75 -42.54 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.13 -26.59 60.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.542 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 6.1 m-85 -106.49 15.88 25.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -98.99 -30.21 12.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -90.48 15.02 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.52 HG21 ' HZ ' ' A' ' 68' ' ' PHE . 34.3 m -111.38 -5.01 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.52 43.98 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -80.52 -64.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -99.38 44.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -95.95 104.6 16.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 38.3 t30 64.65 43.37 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.5 t -101.19 140.67 35.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -176.32 -178.22 45.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 120.97 7.67 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.2 m -132.78 165.15 25.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 85.1 p -48.95 173.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.7 p -127.02 160.14 32.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 t -124.26 147.41 48.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.95 88.15 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.3 p -77.35 100.92 6.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.829 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.9 p 37.79 42.46 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -127.31 50.22 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -101.17 83.89 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.594 ' O ' HG23 ' A' ' 20' ' ' VAL . 42.4 t-80 -116.72 172.06 7.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.509 ' HB ' ' CE1' ' A' ' 92' ' ' HIS . 90.9 mt -49.04 133.31 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 18' ' ' HIS . 94.9 t -140.45 131.91 14.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 111.138 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.443 ' HG2' HD11 ' A' ' 27' ' ' ILE . 64.9 Cg_exo -47.97 123.75 9.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.9 p -63.31 -177.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -61.41 -51.19 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -73.69 -40.56 63.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -55.65 166.36 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -159.72 146.84 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.443 HD11 ' HG2' ' A' ' 21' ' ' PRO . 91.4 mt -88.75 129.77 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.862 HG21 HG21 ' A' ' 41' ' ' VAL . 19.6 m -136.93 166.45 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.539 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 17.6 ttp180 -111.82 140.22 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 67' ' ' ASP . 64.9 t -73.38 149.11 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.404 HD13 ' HD3' ' A' ' 48' ' ' ARG . 19.5 mt -124.02 -60.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -142.92 170.18 16.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.523 HG22 ' H ' ' A' ' 35' ' ' GLY . 7.7 m -145.47 111.01 4.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 3.13 2.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.299 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.523 ' H ' HG22 ' A' ' 33' ' ' THR . . . 95.87 -45.61 1.96 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -54.34 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 2.1 p-10 -81.21 40.8 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.4 mt -132.08 163.51 28.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.604 ' O ' HG22 ' A' ' 51' ' ' VAL . 67.4 m80 -151.92 125.28 8.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -84.58 108.89 17.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.862 HG21 HG21 ' A' ' 28' ' ' VAL . 28.8 m -118.77 171.22 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -135.58 152.02 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.6 p -92.82 -178.12 4.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.592 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . . . -75.22 -24.26 57.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -87.67 23.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.7 67.51 2.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -139.09 106.18 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.404 ' HD3' HD13 ' A' ' 31' ' ' LEU . 40.6 mtt180 -83.74 148.64 26.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.487 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 27.5 p90 -172.08 175.03 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -109.69 152.33 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.688 HG11 HG11 ' A' ' 71' ' ' VAL . 34.8 m -135.35 152.72 32.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -99.84 165.04 11.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.822 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.9 tpt -96.71 133.2 24.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.537 0.684 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.548 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 Cg_exo -47.97 164.69 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.644 2.23 . . . . 0.0 112.361 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.7 m -79.06 -37.09 39.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.587 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 12.6 pttt -67.26 -34.73 78.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.587 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 14.7 m-30 -83.79 37.87 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.9 ttt-85 -64.97 80.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -174.18 177.14 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.59 79.92 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.9 mt -66.7 142.8 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.431 ' CZ2' ' HD2' ' A' ' 64' ' ' LYS . 13.0 t-105 -74.72 101.77 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.22 130.48 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HD2' ' CZ2' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -117.87 177.01 4.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -71.87 147.27 47.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.469 ' N ' ' HD3' ' A' ' 65' ' ' ARG . . . 87.05 -40.82 3.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.742 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -43.29 124.01 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.862 0.363 . . . . 0.0 110.83 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 54.3 m-85 -88.28 132.14 34.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 68' ' ' PHE . 13.2 mt -131.49 164.96 24.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 85' ' ' SER . 92.8 mt -104.01 115.09 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.688 HG11 HG11 ' A' ' 51' ' ' VAL . 16.5 m -107.75 154.1 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.496 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -123.33 130.52 24.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.709 . . . . 0.0 110.883 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 142.35 47.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.295 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.701 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.8 mt -117.5 145.87 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -61.66 -177.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -44.23 117.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.33 -143.47 3.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -52.61 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -83.07 21.49 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.403 ' C ' ' HE3' ' A' ' 81' ' ' LYS . 89.6 t -100.17 138.42 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HE3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -82.58 -49.69 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.496 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -149.78 -177.2 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.11 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.701 ' HG3' HD11 ' A' ' 74' ' ' ILE . 47.5 mt-10 -141.1 140.33 34.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.822 HD12 ' SD ' ' A' ' 53' ' ' MET . 43.1 mt -49.78 159.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.541 ' N ' HG22 ' A' ' 84' ' ' ILE . 55.9 m -131.52 -42.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -155.44 154.99 32.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.9 t -95.14 107.86 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 39.3 mt -69.68 145.45 52.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' LYS . 2.5 t -126.03 161.75 26.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 89' ' ' CYS . 29.2 mmtm -35.98 -53.23 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -61.31 -56.05 24.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.509 ' CE1' ' HB ' ' A' ' 19' ' ' ILE . 2.9 t-160 -38.45 -57.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.626 HG22 ' CZ3' ' A' ' 102' ' ' TRP . 98.3 t -49.72 -42.93 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -51.63 -44.67 63.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -65.1 -62.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.6 mt -44.0 -43.49 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -63.69 -42.15 98.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -63.73 -50.34 69.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.76 -28.77 68.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.65 38.81 4.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -113.57 -37.74 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.626 ' CZ3' HG22 ' A' ' 93' ' ' VAL . 64.6 t-105 -47.05 138.79 7.36 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.519 0.675 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.521 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 54.1 Cg_endo -69.75 168.32 21.88 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -95.55 -34.88 11.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.592 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -62.26 -7.88 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.425 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 11.8 m-85 -127.75 17.26 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 m -94.02 -34.75 12.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -84.65 33.53 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.491 HG21 ' HZ ' ' A' ' 68' ' ' PHE . 34.8 m -130.65 -33.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.76 -52.35 49.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.405 ' CD ' ' H ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -75.7 -29.31 58.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -98.26 49.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -129.14 108.32 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -157.81 110.18 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.2 m -110.7 141.32 44.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 69.88 146.24 0.27 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.7 Cg_endo -69.78 1.85 4.08 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 117' ' ' PRO . 26.5 t -34.79 129.19 0.44 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 81.5 p -121.26 134.6 55.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.515 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -125.84 144.04 50.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.3 p -107.83 116.54 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.56 -110.84 0.25 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.4 t -123.85 -51.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.828 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.6 m 65.17 42.38 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.3 63.95 4.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -141.9 146.38 35.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.515 ' O ' HG23 ' A' ' 20' ' ' VAL . 56.3 t-80 -115.94 169.17 9.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.2 mt -41.31 142.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 18' ' ' HIS . 54.1 t -140.47 126.95 11.93 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.643 0.735 . . . . 0.0 111.133 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.537 ' HG2' HD11 ' A' ' 27' ' ' ILE . 64.7 Cg_exo -47.96 119.26 3.72 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -61.42 158.85 13.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -45.96 -51.05 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -73.61 -40.92 63.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.459 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 10.0 mt-30 -55.64 150.35 12.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -141.02 143.18 34.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.537 HD11 ' HG2' ' A' ' 21' ' ' PRO . 66.8 mt -89.13 120.79 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.927 HG21 HG21 ' A' ' 41' ' ' VAL . 26.9 m -127.41 175.25 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.444 ' CD ' ' HA2' ' A' ' 66' ' ' GLY . 8.2 ttt-85 -118.89 140.83 49.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.632 ' HA ' HG12 ' A' ' 41' ' ' VAL . 84.9 t -73.74 153.41 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 42' ' ' GLU . 24.8 mt -130.46 -57.76 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 32' ' ' ARG . 23.8 mtm105 -155.79 168.22 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 38' ' ' LEU . 1.9 m -144.1 123.45 7.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.557 0.694 . . . . 0.0 111.178 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -6.26 18.18 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.367 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' H ' HG22 ' A' ' 33' ' ' THR . . . 107.29 -38.12 3.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -58.38 -174.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -81.14 40.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' ' 52' ' ' SER . 21.4 mt -138.2 171.29 14.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.649 ' O ' HG22 ' A' ' 51' ' ' VAL . 38.8 m80 -154.85 141.87 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -98.27 116.27 30.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.927 HG21 HG21 ' A' ' 28' ' ' VAL . 31.3 m -122.69 177.26 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.512 ' HB3' HD11 ' A' ' 31' ' ' LEU . 7.3 pt-20 -139.15 148.67 43.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 p -93.35 178.39 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . . . -71.11 -20.76 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -90.06 24.14 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.83 58.84 12.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -131.28 107.97 9.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -85.24 137.87 32.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.737 ' CE1' HG23 ' A' ' 41' ' ' VAL . 19.6 p90 -155.41 179.15 9.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -112.01 154.98 24.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 39' ' ' HIS . 32.2 m -130.42 164.64 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.635 ' OG ' HG21 ' A' ' 80' ' ' VAL . 1.5 m -119.15 160.65 21.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.572 ' SD ' HD12 ' A' ' 84' ' ' ILE . 4.2 tpt -96.09 125.18 49.21 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.553 0.692 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.4 Cg_exo -48.01 133.03 23.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -59.62 -11.35 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.557 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 9.8 pttt -95.32 -16.42 22.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.557 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 12.6 m-30 -99.24 45.22 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -68.21 85.98 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -174.88 170.54 3.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -89.25 82.75 6.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.2 mt -74.43 147.67 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.429 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 18.7 t90 -74.75 99.45 3.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.51 106.3 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 6.2 mtmp? -113.08 174.7 5.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.436 ' HG2' ' N ' ' A' ' 66' ' ' GLY . 44.8 ttt180 -68.65 149.69 48.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.444 ' HA2' ' CD ' ' A' ' 29' ' ' ARG . . . 81.61 -41.32 2.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.527 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -43.84 124.52 3.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.886 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.606 ' O ' HD23 ' A' ' 69' ' ' LEU . 33.9 m-85 -88.91 138.42 31.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 68' ' ' PHE . 12.0 mt -142.47 170.48 15.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 25' ' ' GLN . 72.8 mt -111.26 113.85 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.609 HG11 HG11 ' A' ' 51' ' ' VAL . 16.2 m -109.07 154.68 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.473 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 21.7 t70 -123.62 133.31 24.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.851 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 151.1 69.02 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.372 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.833 HD11 ' HG3' ' A' ' 83' ' ' GLU . 8.7 mt -123.07 152.59 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.91 -178.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -38.12 122.85 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.29 -143.71 4.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.567 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.92 -174.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.384 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -83.09 21.54 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.635 HG21 ' OG ' ' A' ' 52' ' ' SER . 87.9 t -100.21 136.13 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -80.08 -59.47 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.473 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -138.37 176.26 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.06 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.833 ' HG3' HD11 ' A' ' 74' ' ' ILE . 18.8 mt-10 -132.47 147.24 52.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.572 HD12 ' SD ' ' A' ' 53' ' ' MET . 53.1 mt -53.46 138.42 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.9 m -113.73 -46.04 3.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -156.48 151.57 26.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.487 ' HA ' HD22 ' A' ' 69' ' ' LEU . 56.2 t -94.89 109.89 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.594 HD23 ' CE1' ' A' ' 92' ' ' HIS . 60.7 mt -67.85 138.86 56.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 90' ' ' LYS . 25.6 m -108.12 153.56 22.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 89' ' ' CYS . 29.2 mttt -34.66 -54.19 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -61.43 -44.9 96.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.594 ' CE1' HD23 ' A' ' 88' ' ' LEU . 6.1 t-160 -49.75 -54.74 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.63 HG13 ' CH2' ' A' ' 102' ' ' TRP . 69.7 t -44.67 -63.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -45.69 -48.65 15.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t -52.69 -61.69 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.485 HD21 ' HD3' ' A' ' 21' ' ' PRO . 37.1 mt -44.89 -41.35 7.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -62.16 -50.97 69.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -57.15 -49.74 75.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.86 -27.51 68.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.13 49.02 2.13 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -127.72 -39.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.63 ' CH2' HG13 ' A' ' 93' ' ' VAL . 59.8 t-105 -48.82 139.3 11.92 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.58 0.705 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.5 Cg_endo -69.77 174.43 9.53 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -95.84 -37.77 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -57.01 -31.97 65.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -105.22 18.86 21.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 t -97.59 -30.51 12.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -91.66 28.2 1.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.5 m -120.08 -35.41 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.23 -51.79 22.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -43.89 -48.58 8.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -129.72 87.04 2.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -100.69 -51.86 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -152.66 173.47 15.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.9 t -132.07 108.84 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.83 -94.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -50.67 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.26 . . . . 0.0 112.352 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 73.9 m -77.12 92.99 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.1 t -168.75 136.64 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.2 t -80.93 87.64 5.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 110.846 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 p -83.53 147.02 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.02 -124.89 2.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 m -53.55 153.9 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.817 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.2 t -75.92 150.86 37.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -74.02 -126.75 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' GLY . 2.2 tp10 -37.73 110.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.598 ' O ' HG23 ' A' ' 20' ' ' VAL . 41.3 t-80 -72.51 171.15 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 77.0 mt -50.08 133.91 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 18' ' ' HIS . 83.9 t -142.79 134.04 12.81 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.633 0.73 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.435 ' HD2' HG13 ' A' ' 20' ' ' VAL . 64.1 Cg_exo -48.01 119.44 3.91 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.5 m -55.93 177.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -57.85 -46.46 84.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -83.54 -39.13 20.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -53.47 149.05 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -142.65 147.7 36.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.5 mt -87.25 131.44 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.555 HG11 ' HZ ' ' A' ' 49' ' ' PHE . 16.0 m -137.67 172.56 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -118.48 134.44 55.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.853 ' HA ' HG12 ' A' ' 41' ' ' VAL . 60.8 t -68.83 144.12 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.698 HD11 ' HB3' ' A' ' 42' ' ' GLU . 19.5 mt -118.33 -47.98 2.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -165.08 172.48 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 38' ' ' LEU . 6.0 m -148.04 119.63 4.47 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.54 0.686 . . . . 0.0 111.144 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -0.65 7.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.654 2.236 . . . . 0.0 112.333 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.55 ' H ' HG22 ' A' ' 33' ' ' THR . . . 103.22 -43.39 1.68 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.443 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -53.91 -174.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -81.2 40.72 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 52' ' ' SER . 30.5 mt -139.13 169.47 17.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.565 ' CD2' ' O ' ' A' ' 38' ' ' LEU . 35.7 m-70 -153.41 142.31 21.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.616 ' HG2' HD12 ' A' ' 31' ' ' LEU . 44.3 tt0 -97.23 109.04 21.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.853 HG12 ' HA ' ' A' ' 30' ' ' VAL . 9.5 m -115.73 174.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.698 ' HB3' HD11 ' A' ' 31' ' ' LEU . 14.7 pt-20 -135.55 152.15 51.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 p -95.06 171.84 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.29 -26.8 68.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -89.13 25.99 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.24 70.12 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -139.31 105.43 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.596 ' HD3' HD13 ' A' ' 31' ' ' LEU . 31.2 mtt180 -80.31 145.07 32.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.656 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 24.3 p90 -167.6 171.02 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -107.39 151.28 25.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.61 HG11 HG11 ' A' ' 71' ' ' VAL . 24.8 m -133.05 153.61 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.67 ' HA ' HD23 ' A' ' 38' ' ' LEU . 1.7 t -97.74 168.35 10.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.681 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.3 tpt -104.27 131.83 21.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.8 Cg_exo -47.99 174.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.6 p -93.4 -23.23 18.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.577 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 47.1 pttt -87.08 -12.2 47.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.94 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.577 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 12.7 m-30 -98.96 31.06 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -60.43 79.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' TYR . 16.1 tttp -175.12 155.61 1.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -75.1 83.19 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.1 mt -71.17 145.22 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.453 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 25.0 t90 -76.15 87.28 3.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.2 mt -114.34 110.29 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 6.9 mtmp? -115.65 178.63 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -71.67 148.15 46.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.82 -22.02 27.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.565 ' O ' HG23 ' A' ' 30' ' ' VAL . 64.2 t0 -72.63 125.67 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.685 ' O ' HD23 ' A' ' 69' ' ' LEU . 11.1 m-85 -88.15 132.22 34.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 68' ' ' PHE . 13.2 mt -133.41 163.9 28.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 85' ' ' SER . 93.3 mt -107.16 106.06 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.61 HG11 HG11 ' A' ' 51' ' ' VAL . 19.1 m -94.86 162.12 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.549 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -126.62 121.93 23.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 137.9 36.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.646 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.0 mt -117.25 144.66 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.171 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -61.13 -177.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -42.64 120.88 1.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.89 -131.98 1.38 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -62.99 -175.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.43 ' CD ' ' H ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -82.11 17.9 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.434 ' C ' ' HE2' ' A' ' 81' ' ' LYS . 88.5 t -100.27 143.53 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.466 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 7.8 mmpt? -83.65 -52.79 6.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.549 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -147.53 -178.92 6.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.646 ' HG3' HD11 ' A' ' 74' ' ' ILE . 22.4 mt-10 -133.52 139.73 46.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.681 HD12 ' SD ' ' A' ' 53' ' ' MET . 44.6 mt -54.28 144.08 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.498 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 67.2 m -114.4 -39.6 3.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.498 ' CG ' ' O ' ' A' ' 85' ' ' SER . 95.3 m-85 -162.16 163.11 28.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.473 ' HA ' HD22 ' A' ' 69' ' ' LEU . 85.9 t -105.69 102.22 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.8 mt -66.01 149.32 50.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.471 ' O ' HG23 ' A' ' 93' ' ' VAL . 94.4 m -120.92 -177.22 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -53.6 -54.99 29.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' ARG . 1.3 t0 -60.42 -60.13 4.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.1 t-80 -34.92 -58.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.803 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.624 HG22 ' CH2' ' A' ' 102' ' ' TRP . 93.7 t -49.09 -40.3 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 91' ' ' ASP . 17.1 mmt85 -56.52 -43.39 79.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 m -62.31 -70.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 41.2 mt -39.74 -37.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -64.04 -45.7 87.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -71.59 -37.0 71.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.77 -29.19 70.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.29 44.77 2.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -126.72 -42.31 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.624 ' CH2' HG22 ' A' ' 93' ' ' VAL . 54.1 t-105 -42.56 139.22 2.01 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.77 174.29 9.74 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -97.37 -29.02 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.27 98.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.495 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 7.0 m-85 -100.48 22.84 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -97.06 -37.75 10.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.09 34.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.8 m -129.08 -37.8 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.76 39.32 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -83.76 -68.36 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.92 92.11 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -133.35 80.84 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -73.16 156.94 38.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.1 t -64.03 149.32 47.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.96 -158.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -16.7 37.59 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.5 m -145.53 143.73 30.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.9 t -134.46 151.6 51.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.511 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.6 p -62.54 98.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.828 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.0 t -76.36 108.84 9.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.46 157.03 21.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.527 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.5 m -61.55 143.8 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.4 t -74.18 -52.87 11.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.77 139.93 11.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -101.32 -53.6 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.639 ' O ' HG23 ' A' ' 20' ' ' VAL . 49.9 t-80 -106.08 168.43 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 61.5 mt -51.73 108.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 18' ' ' HIS . 92.1 t -125.72 138.34 31.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.614 0.721 . . . . 0.0 111.163 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.594 ' HD2' HG13 ' A' ' 20' ' ' VAL . 65.7 Cg_exo -47.97 129.79 18.71 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -84.08 176.39 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.28 -54.44 46.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -42.09 88.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.465 ' HB3' HG23 ' A' ' 70' ' ' ILE . 56.4 mt-30 -66.12 171.23 4.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -159.99 147.62 16.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.579 HD11 ' CG ' ' A' ' 21' ' ' PRO . 59.4 mt -90.14 119.8 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.721 HG21 HG21 ' A' ' 41' ' ' VAL . 17.5 m -127.27 165.54 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.8 ttt-85 -114.1 132.17 56.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.821 ' HA ' HG12 ' A' ' 41' ' ' VAL . 72.7 t -64.54 156.78 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.484 ' N ' HG12 ' A' ' 30' ' ' VAL . 21.0 mt -129.56 -46.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.428 ' HG2' ' N ' ' A' ' 33' ' ' THR . 9.0 ttm105 -171.99 152.96 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.657 HG22 ' H ' ' A' ' 35' ' ' GLY . 28.3 m -125.63 121.93 24.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.603 0.716 . . . . 0.0 111.154 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -14.24 36.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.377 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.657 ' H ' HG22 ' A' ' 33' ' ' THR . . . 120.08 -49.66 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.516 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -51.82 -174.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -81.24 40.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.423 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 38.1 mt -133.67 165.8 24.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.571 ' CE1' ' CD1' ' A' ' 63' ' ' ILE . 49.5 m-70 -151.63 138.34 18.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG2' HD12 ' A' ' 31' ' ' LEU . 47.8 tt0 -97.15 113.33 24.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.821 HG12 ' HA ' ' A' ' 30' ' ' VAL . 18.5 m -120.29 179.42 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.4 ' HB3' HD11 ' A' ' 31' ' ' LEU . 14.1 pt-20 -138.88 144.11 39.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.479 ' HA ' HG12 ' A' ' 28' ' ' VAL . 27.5 p -85.52 173.7 10.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.38 -24.17 63.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -89.87 24.86 2.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.14 64.0 4.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -135.66 105.19 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.457 ' HD3' HD13 ' A' ' 31' ' ' LEU . 71.3 mtt180 -83.93 143.04 30.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -167.0 179.33 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -111.31 162.07 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.459 HG11 HG11 ' A' ' 71' ' ' VAL . 33.6 m -144.22 155.18 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -101.26 163.86 12.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.777 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.5 tpt -96.67 132.76 25.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.54 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.5 Cg_exo -47.94 161.38 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.67 2.246 . . . . 0.0 112.321 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 m -79.11 -27.98 42.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.554 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 10.4 pttm -81.71 -21.29 38.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.554 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.3 m-30 -88.25 25.52 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.1 mtp-105 -59.5 79.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' TYR . 10.1 tptm -175.04 140.89 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.03 90.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.1 mt -82.46 146.13 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -77.03 103.25 6.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.571 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 42.1 mt -122.51 138.1 53.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 63' ' ' ILE . 9.4 mmpt? -134.68 170.01 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -73.71 145.4 45.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.85 -6.8 83.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -81.65 130.27 34.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.784 ' O ' HD23 ' A' ' 69' ' ' LEU . 61.6 m-85 -88.29 134.63 33.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.784 HD23 ' O ' ' A' ' 68' ' ' PHE . 12.9 mt -139.94 167.76 21.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 85' ' ' SER . 88.5 mt -108.76 118.05 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.459 HG11 HG11 ' A' ' 51' ' ' VAL . 4.6 m -114.5 155.15 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.49 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 4.3 t0 -125.16 131.76 24.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.588 0.709 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.401 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 53.7 Cg_endo -69.77 146.39 60.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.68 2.253 . . . . 0.0 112.386 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.864 HD11 ' HG3' ' A' ' 83' ' ' GLU . 11.0 mt -117.38 158.36 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' HG22 ' A' ' 74' ' ' ILE . 2.5 pt-20 -74.66 177.79 5.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -38.48 114.9 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.72 -133.08 1.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -174.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.38 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -82.92 21.11 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.8 t -100.2 137.24 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -80.21 -53.1 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.49 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -146.27 177.02 9.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.864 ' HG3' HD11 ' A' ' 74' ' ' ILE . 34.2 mt-10 -129.26 140.78 51.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.777 HD12 ' SD ' ' A' ' 53' ' ' MET . 88.3 mt -50.58 153.79 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.077 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 70' ' ' ILE . 14.9 m -124.14 -44.37 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -157.95 166.58 32.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.623 ' HA ' HD22 ' A' ' 69' ' ' LEU . 96.4 t -107.56 101.44 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.46 146.1 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 3.3 t -113.54 172.84 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -50.37 -49.49 54.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -64.73 -51.59 61.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -43.3 -56.53 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.62 HG13 ' CH2' ' A' ' 102' ' ' TRP . 84.4 t -48.89 -29.35 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -69.98 -49.46 51.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -54.87 -66.3 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.425 HD13 HD11 ' A' ' 27' ' ' ILE . 65.0 mt -41.03 -41.17 1.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -60.49 -42.57 96.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -74.1 -40.85 62.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 101' ' ' PHE . 34.9 mt-10 -62.92 -25.76 68.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.19 39.0 4.94 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.495 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.519 ' CE2' HG11 ' A' ' 20' ' ' VAL . 57.9 m-85 -116.67 -38.24 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.62 ' CH2' HG13 ' A' ' 93' ' ' VAL . 40.9 t-105 -49.76 139.21 16.62 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.554 0.692 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.7 Cg_endo -69.75 176.74 6.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.246 . . . . 0.0 112.321 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -100.56 -9.07 22.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.04 -8.94 54.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.434 ' HA ' ' CG2' ' A' ' 109' ' ' VAL . 16.1 m-85 -128.21 -10.26 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.6 p -46.12 -51.63 13.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.44 29.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 106' ' ' PHE . 78.1 t -116.6 -22.72 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.3 -57.92 2.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -43.31 -60.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -74.28 -58.05 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 46.85 40.99 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -123.53 144.15 49.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.8 m -147.45 142.97 27.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 120.23 146.24 7.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 95.8 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.605 2.203 . . . . 0.0 112.352 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 96.1 p -169.27 172.69 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.1 m -49.83 -56.36 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.1 m -76.97 147.06 37.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.822 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.8 t -124.72 117.58 24.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 153.56 126.15 1.09 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.0 m -127.13 120.84 29.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.1 m -61.59 147.99 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.14 -86.21 0.45 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -101.93 50.39 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.721 ' O ' HG23 ' A' ' 20' ' ' VAL . 59.1 t-80 -83.72 163.58 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.6 mt -38.95 119.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 18' ' ' HIS . 45.4 t -131.75 129.63 22.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.539 ' HD3' HD21 ' A' ' 96' ' ' LEU . 65.1 Cg_exo -48.0 125.22 11.27 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.9 p -68.04 173.27 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -56.28 -45.77 80.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.47 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 42.6 mt-30 -78.45 -36.46 45.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -67.97 150.94 47.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -146.47 151.3 37.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.691 HD11 HD13 ' A' ' 96' ' ' LEU . 67.8 mt -87.48 127.87 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.917 HG21 HG21 ' A' ' 41' ' ' VAL . 30.7 m -133.83 164.5 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -111.24 132.29 54.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.827 ' HA ' HG12 ' A' ' 41' ' ' VAL . 57.0 t -68.5 138.57 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 42' ' ' GLU . 24.2 mt -112.74 -58.53 2.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -148.24 -178.57 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 35' ' ' GLY . 2.8 m -156.02 118.35 2.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 111.147 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -3.55 12.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.226 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' H ' HG22 ' A' ' 33' ' ' THR . . . 105.18 -44.36 1.49 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -52.97 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -81.1 40.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.688 HD23 ' HA ' ' A' ' 52' ' ' SER . 18.9 mt -135.89 171.43 14.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.437 ' O ' HG22 ' A' ' 51' ' ' VAL . 56.7 m80 -155.2 138.83 16.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.47 112.34 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.917 HG21 HG21 ' A' ' 28' ' ' VAL . 27.3 m -117.49 179.88 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.581 ' HB3' HD11 ' A' ' 31' ' ' LEU . 9.4 pt-20 -138.61 143.99 39.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.0 p -90.02 166.15 13.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.583 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . . . -57.41 -27.75 62.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -87.22 28.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.14 51.47 46.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -117.68 102.46 9.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -79.72 142.55 35.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.587 ' CE1' HG23 ' A' ' 41' ' ' VAL . 10.4 p90 -168.12 178.76 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -112.9 159.98 18.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.765 HG11 HG11 ' A' ' 71' ' ' VAL . 33.4 m -140.68 151.76 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.688 ' HA ' HD23 ' A' ' 38' ' ' LEU . 5.9 t -97.11 161.67 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.872 ' SD ' HD12 ' A' ' 84' ' ' ILE . 6.5 tpt -99.41 132.5 23.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.557 0.694 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.459 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.3 Cg_exo -47.98 163.92 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.299 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.2 m -80.37 -37.27 32.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.497 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 37.6 pttt -72.92 -14.99 61.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.497 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 10.3 m-30 -95.37 24.68 4.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -58.52 80.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 57' ' ' TYR . 27.0 mtmt -168.25 172.33 8.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -91.95 81.61 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.422 HD12 ' CE ' ' A' ' 53' ' ' MET . 13.2 mt -72.87 140.48 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -74.96 106.27 6.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 71.2 mt -126.17 135.13 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -129.28 175.29 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -76.67 126.92 31.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.68 -22.34 24.15 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 30' ' ' VAL . 5.4 t0 -64.35 128.49 36.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.87 ' O ' HD23 ' A' ' 69' ' ' LEU . 49.4 m-85 -90.29 130.07 36.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.87 HD23 ' O ' ' A' ' 68' ' ' PHE . 12.8 mt -133.39 165.12 25.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 85' ' ' SER . 89.5 mt -107.56 105.07 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.765 HG11 HG11 ' A' ' 51' ' ' VAL . 32.8 m -93.7 157.91 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.56 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -124.09 122.1 26.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.89 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.47 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 54.0 Cg_endo -69.69 143.2 50.43 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.852 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.6 mt -119.53 154.55 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' GLU . 5.4 pt-20 -72.13 -177.43 2.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 75' ' ' GLU . 58.1 mm-40 -37.45 122.88 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.05 -130.45 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -68.72 -174.9 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.45 ' HE3' ' N ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -82.95 20.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.4 t -100.18 135.16 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -77.8 -51.85 9.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -146.48 177.47 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.852 ' HG3' HD11 ' A' ' 74' ' ' ILE . 23.8 mt-10 -129.65 140.25 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.872 HD12 ' SD ' ' A' ' 53' ' ' MET . 76.6 mt -54.71 139.36 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' ILE . 19.5 m -108.57 -48.09 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -154.36 169.6 23.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.687 ' HA ' HD22 ' A' ' 69' ' ' LEU . 98.6 t -107.84 104.35 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.459 HD12 ' C ' ' A' ' 68' ' ' PHE . 12.7 mt -67.17 150.02 49.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 90' ' ' LYS . 28.6 m -130.5 164.23 25.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 89' ' ' CYS . 23.6 mmmt -38.07 -41.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' HIS . 14.3 m-20 -68.78 -64.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.6 t-80 -35.63 -58.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' HIS . 91.9 t -36.24 -58.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.6 -55.18 5.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.7 m -46.13 -54.54 8.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.691 HD13 HD11 ' A' ' 27' ' ' ILE . 50.9 mt -63.26 -37.71 88.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -62.01 -40.28 95.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -72.29 -47.64 48.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.0 -21.4 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 88.44 33.71 10.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -106.63 -37.51 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.529 ' CD2' ' HD2' ' A' ' 103' ' ' PRO . 53.0 t-105 -47.66 137.86 9.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.564 0.697 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.529 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.4 Cg_endo -69.74 -170.2 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.272 . . . . 0.0 112.34 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -110.06 -35.39 6.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.583 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -62.56 -23.28 66.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -112.08 21.81 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 t -100.95 -39.01 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.83 25.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.3 m -116.8 -28.8 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.61 -51.12 9.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -49.17 -29.22 5.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -90.3 -27.9 19.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -105.34 76.54 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.413 ' CG ' ' N ' ' A' ' 115' ' ' SER . 23.6 t-20 -121.44 169.44 10.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 114' ' ' ASN . 51.4 p -98.47 134.45 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.32 147.34 16.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.5 Cg_endo -69.76 96.05 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.308 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' PRO . 6.6 m 37.94 41.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.6 p -153.2 134.41 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.4 t 67.1 42.74 2.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.8 t -73.72 -47.29 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.76 -168.42 15.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.3 t -93.34 81.22 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.6 p -130.83 138.93 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.01 72.77 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -122.23 106.53 11.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.784 ' O ' HG23 ' A' ' 20' ' ' VAL . 44.5 t-80 -125.17 168.39 13.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 66.1 mt -36.85 121.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 18' ' ' HIS . 75.3 t -128.3 125.48 23.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 111.147 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.477 ' HG2' HD11 ' A' ' 27' ' ' ILE . 64.3 Cg_exo -47.97 120.68 5.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -66.48 168.61 8.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -52.0 -36.37 49.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.38 -38.26 22.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -67.85 145.63 54.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -137.33 151.63 48.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.477 HD11 ' HG2' ' A' ' 21' ' ' PRO . 78.9 mt -96.84 130.27 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.615 HG21 HG21 ' A' ' 41' ' ' VAL . 19.2 m -134.38 179.65 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 19.2 ttt180 -125.28 139.77 53.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.732 ' HA ' HG12 ' A' ' 41' ' ' VAL . 23.3 t -77.09 152.01 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mt -127.74 -55.3 1.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 -154.36 162.75 40.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 35' ' ' GLY . 2.5 m -134.63 119.58 14.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 111.172 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -1.03 7.8 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.706 2.27 . . . . 0.0 112.329 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' H ' HG22 ' A' ' 33' ' ' THR . . . 103.23 -40.22 2.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -61.06 -174.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.435 ' O ' HD23 ' A' ' 38' ' ' LEU . 42.7 p30 -81.46 40.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 37' ' ' ASN . 16.9 mt -133.24 166.93 21.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.608 ' O ' HG22 ' A' ' 51' ' ' VAL . 50.3 m80 -152.3 127.7 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.476 ' OE1' HD21 ' A' ' 50' ' ' LEU . 3.4 tp10 -85.03 102.74 13.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 30' ' ' VAL . 7.8 m -110.35 178.71 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -143.49 147.45 34.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.9 p -87.13 -179.36 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.19 -19.47 59.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -91.77 23.74 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.8 61.73 7.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -133.39 101.32 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -80.28 142.91 34.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.412 ' HZ ' HG11 ' A' ' 28' ' ' VAL . 22.4 p90 -166.32 174.94 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.476 HD21 ' OE1' ' A' ' 40' ' ' GLU . 22.4 mt -105.8 156.38 18.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.827 HG11 HG11 ' A' ' 71' ' ' VAL . 27.0 m -139.85 142.88 31.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -89.19 161.22 16.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.745 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.9 tpt -101.82 132.62 21.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.541 0.686 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 66.4 Cg_exo -48.02 170.93 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.697 2.265 . . . . 0.0 112.357 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -83.91 -41.97 16.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.56 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.0 pttm -66.55 -26.85 67.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 12.3 m-30 -84.46 24.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -60.7 78.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' TYR . 2.8 ttpm? -175.21 134.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -56.53 87.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 62' ' ' TRP . 26.2 mt -74.66 155.21 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.537 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 28.4 t90 -81.91 87.73 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.431 HG23 HG21 ' A' ' 30' ' ' VAL . 86.0 mt -116.64 115.01 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.537 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 43.4 mtmt -118.95 170.78 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -57.75 146.72 30.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.463 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 89.41 -35.73 3.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.454 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.701 ' O ' HG23 ' A' ' 30' ' ' VAL . 35.7 t0 -53.72 122.28 9.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.578 ' O ' HD23 ' A' ' 69' ' ' LEU . 28.1 m-85 -90.99 129.02 37.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 68' ' ' PHE . 14.3 mt -127.74 168.05 15.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 85' ' ' SER . 91.9 mt -111.26 107.64 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.827 HG11 HG11 ' A' ' 51' ' ' VAL . 22.5 m -102.18 157.08 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -122.34 129.64 25.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 110.855 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.0 49.45 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.841 HD11 ' HG3' ' A' ' 83' ' ' GLU . 8.9 mt -118.79 153.8 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.78 177.8 1.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -42.42 113.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.95 -141.13 3.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -51.97 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -82.6 18.66 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.9 t -100.15 138.19 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -83.44 -44.57 14.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.502 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -153.91 178.4 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.841 ' HG3' HD11 ' A' ' 74' ' ' ILE . 44.8 mt-10 -134.1 138.39 45.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.745 HD12 ' SD ' ' A' ' 53' ' ' MET . 40.9 mt -55.36 146.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' ILE . 30.2 m -115.33 -42.65 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.815 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -153.18 173.02 16.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -114.29 104.76 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.4 mt -69.04 154.21 42.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' LYS . 26.7 p -133.1 159.49 39.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' CYS . 2.4 mmmm -34.77 -45.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' HIS . 5.5 m-20 -63.58 -63.87 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' VAL . 3.3 t-160 -36.58 -59.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.535 HG22 ' CH2' ' A' ' 102' ' ' TRP . 84.6 t -34.27 -59.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.414 HH12 ' CE ' ' A' ' 90' ' ' LYS . 8.7 mpt_? -43.07 -58.66 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.1 m -41.78 -61.74 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 39.6 mt -55.22 -43.36 74.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -56.92 -39.26 74.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -72.45 -47.76 46.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.51 -22.61 66.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.85 40.81 5.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -115.46 -35.84 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.535 ' CH2' HG22 ' A' ' 93' ' ' VAL . 49.8 t-105 -53.61 139.18 50.31 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.572 0.701 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 54.1 Cg_endo -69.67 -175.05 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.382 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -108.74 -34.39 6.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.36 -7.56 14.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.427 ' C ' HG22 ' A' ' 109' ' ' VAL . 14.5 m-85 -125.35 12.5 8.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -93.11 -30.83 15.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -94.82 23.9 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.427 HG22 ' C ' ' A' ' 106' ' ' PHE . 29.3 m -119.39 -12.69 10.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.6 50.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -118.6 -44.77 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -80.49 -26.11 38.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -50.57 -48.54 57.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -83.67 127.39 33.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.0 m 56.07 49.77 14.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -133.56 -158.32 8.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 2.82 3.21 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.226 . . . . 0.0 112.365 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.4 t -48.32 137.88 10.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.5 t -56.91 141.13 46.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -94.54 143.26 26.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.8 p -64.59 157.65 26.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.92 -39.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.6 t -38.97 102.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.825 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.6 m -54.7 128.64 33.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.67 -97.81 0.57 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -59.74 100.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.755 ' O ' HG23 ' A' ' 20' ' ' VAL . 49.4 t-80 -109.3 171.25 7.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.429 ' N ' ' CG ' ' A' ' 18' ' ' HIS . 80.6 mt -46.8 114.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 18' ' ' HIS . 93.0 t -123.88 130.97 24.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.711 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.485 ' HD3' HD21 ' A' ' 96' ' ' LEU . 64.2 Cg_exo -48.0 119.61 4.06 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.256 . . . . 0.0 112.365 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -70.21 152.41 44.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -42.14 -50.46 4.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -66.25 -46.07 78.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -60.55 175.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -162.28 153.15 17.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.433 HD11 ' HG2' ' A' ' 21' ' ' PRO . 72.8 mt -94.32 125.14 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.626 HG21 HG21 ' A' ' 41' ' ' VAL . 30.5 m -135.77 165.81 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.517 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 28.0 ttt180 -113.68 138.13 50.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.627 ' HA ' HG12 ' A' ' 41' ' ' VAL . 33.5 t -70.56 159.52 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.504 ' N ' HG12 ' A' ' 30' ' ' VAL . 35.4 mt -129.07 -63.42 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -158.51 127.88 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.64 HG22 ' H ' ' A' ' 35' ' ' GLY . 9.7 m -94.74 120.42 64.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.574 0.702 . . . . 0.0 111.199 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -1.79 9.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.64 ' H ' HG22 ' A' ' 33' ' ' THR . . . 103.34 -49.3 0.96 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -52.43 -174.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.7 p30 -81.36 40.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' A' ' 52' ' ' SER . 40.2 mt -138.1 160.63 38.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.52 ' O ' HG22 ' A' ' 51' ' ' VAL . 31.0 m-70 -145.41 132.17 20.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -89.49 114.83 26.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.627 HG12 ' HA ' ' A' ' 30' ' ' VAL . 6.5 m -119.52 177.56 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -140.62 143.4 35.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.404 ' HA ' HG12 ' A' ' 28' ' ' VAL . 17.5 p -86.7 176.62 7.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.79 -19.54 60.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -92.14 23.48 3.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.3 65.63 3.32 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -138.92 107.91 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -85.63 143.44 28.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.541 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 26.2 p90 -165.94 179.9 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -114.68 155.82 25.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.621 HG11 HG11 ' A' ' 71' ' ' VAL . 31.5 m -136.68 143.31 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.526 ' HA ' HD23 ' A' ' 38' ' ' LEU . 2.1 t -87.56 163.73 16.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.778 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.6 tpt -98.44 133.27 22.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.688 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.4 Cg_exo -48.0 169.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 t -87.03 -25.49 24.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.568 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 19.9 pttt -84.73 -16.26 42.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.568 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 12.1 m-30 -94.23 31.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -63.05 79.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -175.02 166.18 3.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -81.61 85.31 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.444 HD12 ' CE ' ' A' ' 53' ' ' MET . 22.1 mt -74.71 141.17 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.442 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 23.0 t90 -75.04 87.18 2.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.8 mt -115.07 109.03 26.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 7.6 mtmp? -105.4 -178.51 3.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -79.07 144.97 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.74 -35.13 4.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 30' ' ' VAL . 8.0 t0 -58.84 127.33 31.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 29' ' ' ARG . 56.3 m-85 -89.81 132.82 35.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.641 HD22 ' HA ' ' A' ' 87' ' ' VAL . 11.3 mt -131.5 169.26 16.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' SER . 97.4 mt -109.8 112.4 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.621 HG11 HG11 ' A' ' 51' ' ' VAL . 10.3 m -111.24 155.28 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.586 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -124.47 136.3 27.61 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.613 0.72 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 150.77 68.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.937 HD11 ' HG3' ' A' ' 83' ' ' GLU . 13.9 mt -119.85 151.35 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.14 173.01 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -39.28 103.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.97 -138.24 2.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -52.25 -177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.374 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -83.05 19.51 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.9 t -100.04 141.94 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.457 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 5.1 mmpt? -81.36 -54.14 5.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 72' ' ' ASP . . . -145.06 179.16 7.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.048 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.937 ' HG3' HD11 ' A' ' 74' ' ' ILE . 26.0 mt-10 -131.49 140.93 49.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.778 HD12 ' SD ' ' A' ' 53' ' ' MET . 62.2 mt -53.51 145.04 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' ILE . 14.4 m -114.42 -44.82 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.448 ' CG ' ' O ' ' A' ' 85' ' ' SER . 91.7 m-85 -160.13 161.54 33.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.641 ' HA ' HD22 ' A' ' 69' ' ' LEU . 72.1 t -102.97 105.49 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.3 mt -66.74 150.44 49.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' LYS . 88.6 m -122.48 159.44 27.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' CYS . 21.0 mmmt -36.34 -45.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -64.03 -56.18 16.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 93' ' ' VAL . 2.1 t-160 -40.61 -62.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 92' ' ' HIS . 93.6 t -34.9 -54.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.51 -51.13 57.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.5 m -49.68 -65.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.485 HD21 ' HD3' ' A' ' 21' ' ' PRO . 39.9 mt -47.13 -44.16 21.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.483 ' NE2' ' CD2' ' A' ' 113' ' ' HIS . 67.9 mt-30 -59.6 -41.34 90.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -69.37 -39.45 78.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.99 -20.68 63.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.87 39.66 6.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -116.0 -42.59 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.523 ' CD2' ' HD2' ' A' ' 103' ' ' PRO . 61.7 t-105 -42.26 137.38 2.19 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.576 0.703 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.523 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 54.0 Cg_endo -69.72 168.67 20.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.377 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -90.57 -30.23 17.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.15 -8.21 29.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -127.48 -2.94 6.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.69 -48.26 82.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -83.18 41.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.443 HG11 ' HZ ' ' A' ' 68' ' ' PHE . 52.5 t -128.19 -40.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.68 120.22 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -58.76 146.6 36.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.4 tptm 45.6 45.53 10.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.483 ' CD2' ' NE2' ' A' ' 97' ' ' GLN . 36.0 t60 -126.66 81.67 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 115' ' ' SER . 8.5 m120 -69.1 -54.01 17.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' ASN . 8.6 t -34.54 136.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 155.69 -157.69 27.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 0.71 5.24 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.262 . . . . 0.0 112.371 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -46.11 127.07 8.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.0 t -91.25 108.29 19.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.493 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.8 m -80.11 138.27 36.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.9 p 39.8 42.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.31 -120.03 6.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.1 m -76.21 166.82 22.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.6 p -86.35 121.73 29.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.87 -118.04 1.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 57.23 44.92 21.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.831 ' O ' HG23 ' A' ' 20' ' ' VAL . 56.8 t-80 -71.3 169.78 14.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.456 ' N ' ' CG ' ' A' ' 18' ' ' HIS . 84.8 mt -40.01 124.04 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 18' ' ' HIS . 80.9 t -138.3 132.68 16.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 111.161 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.98 119.22 3.69 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.477 ' N ' ' HB2' ' A' ' 25' ' ' GLN . 39.2 m -54.24 -176.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -57.84 -47.55 82.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -82.32 -43.98 16.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.57 HE21 HG21 ' A' ' 70' ' ' ILE . 14.8 mt-30 -43.91 139.75 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.423 ' OE1' HG22 ' A' ' 43' ' ' THR . 8.2 pt20 -135.3 146.0 48.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.491 HD11 HD13 ' A' ' 96' ' ' LEU . 97.2 mt -89.03 118.87 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.015 HG21 HG21 ' A' ' 41' ' ' VAL . 29.0 m -123.18 176.6 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.482 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 25.8 ttp180 -124.4 142.76 51.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.784 ' HA ' HG12 ' A' ' 41' ' ' VAL . 57.3 t -75.95 148.55 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.432 ' CD1' ' HD3' ' A' ' 48' ' ' ARG . 49.4 mt -124.7 -60.24 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -151.86 142.15 22.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.722 HG22 ' H ' ' A' ' 35' ' ' GLY . 37.6 m -115.68 116.64 40.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.591 0.71 . . . . 0.0 111.157 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 3.03 2.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.722 ' H ' HG22 ' A' ' 33' ' ' THR . . . 96.04 -48.57 1.78 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -51.64 -174.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -81.59 40.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 52' ' ' SER . 79.1 mt -136.89 162.0 34.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.521 ' O ' HG22 ' A' ' 51' ' ' VAL . 66.2 m80 -146.74 139.47 25.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -99.99 110.89 23.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 1.015 HG21 HG21 ' A' ' 28' ' ' VAL . 32.7 m -121.47 174.21 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -134.94 152.73 51.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.423 HG22 ' OE1' ' A' ' 26' ' ' GLN . 11.7 p -93.29 -179.58 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.08 -25.05 61.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -88.39 24.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.74 66.72 2.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -137.63 104.96 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.432 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 50.6 mtt180 -81.48 146.6 30.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.551 ' HZ ' HG11 ' A' ' 28' ' ' VAL . 33.8 p90 -167.6 172.45 9.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -107.11 153.33 22.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.667 HG11 HG11 ' A' ' 71' ' ' VAL . 30.2 m -131.25 166.76 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.618 ' OG ' HG21 ' A' ' 80' ' ' VAL . 1.4 m -116.81 162.35 17.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.768 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.0 tpt -96.09 130.36 31.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.714 . . . . 0.0 110.861 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.562 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 Cg_exo -48.02 141.93 16.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.335 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.3 m -59.76 -38.88 83.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.16 -8.32 58.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.562 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 3.5 m-30 -94.03 30.7 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -66.62 85.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -174.86 173.61 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -92.37 77.79 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.5 mt -68.2 145.46 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.161 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -74.92 101.56 4.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.6 mt -121.64 136.2 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -131.63 162.09 31.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 66' ' ' GLY . 14.7 ttt180 -64.45 145.98 55.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.475 ' N ' ' HG2' ' A' ' 65' ' ' ARG . . . 82.93 -32.66 2.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.545 ' O ' HG23 ' A' ' 30' ' ' VAL . 28.9 t0 -46.86 128.02 10.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.586 ' O ' HD23 ' A' ' 69' ' ' LEU . 24.5 m-85 -88.13 131.84 34.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 87' ' ' VAL . 11.4 mt -134.41 161.57 34.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.588 HD11 HD21 ' A' ' 88' ' ' LEU . 57.6 mt -100.69 109.52 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.667 HG11 HG11 ' A' ' 51' ' ' VAL . 20.2 m -101.18 147.25 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.517 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 8.7 t0 -120.59 128.69 25.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.643 0.735 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 143.78 52.09 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 1.001 HD11 ' HG3' ' A' ' 83' ' ' GLU . 8.3 mt -117.06 151.39 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.27 -177.25 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -38.25 121.5 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.4 -146.34 5.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -55.21 -174.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.917 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -83.69 22.12 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.618 HG21 ' OG ' ' A' ' 52' ' ' SER . 96.8 t -100.24 137.28 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.454 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 8.7 mmpt? -78.0 -62.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.517 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -137.42 177.02 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 1.001 ' HG3' HD11 ' A' ' 74' ' ' ILE . 19.2 mt-10 -131.09 145.49 52.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.768 HD12 ' SD ' ' A' ' 53' ' ' MET . 35.4 mt -54.69 139.74 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.9 m -114.16 -48.32 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -155.15 134.32 12.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.658 ' HA ' HD22 ' A' ' 69' ' ' LEU . 88.5 t -79.31 106.98 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.588 HD21 HD11 ' A' ' 70' ' ' ILE . 35.4 mt -67.31 125.48 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 59.0 m -98.29 162.01 13.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.468 ' HE3' ' N ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -40.51 -44.82 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -56.24 13.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' VAL . 3.2 t-160 -40.61 -60.64 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.637 HG22 ' CH2' ' A' ' 102' ' ' TRP . 91.9 t -35.33 -52.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -49.68 72.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.9 m -48.84 -58.22 5.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.491 HD13 HD11 ' A' ' 27' ' ' ILE . 51.5 mt -56.26 -40.65 74.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -58.9 -46.71 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -62.27 -47.06 86.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -61.62 -28.85 69.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.63 31.5 7.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -108.41 -42.6 4.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.362 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.637 ' CH2' HG22 ' A' ' 93' ' ' VAL . 60.8 t-105 -40.0 138.07 1.13 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.566 0.698 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.3 Cg_endo -69.78 160.5 49.47 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -84.3 -40.77 17.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -52.84 -39.11 62.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.077 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -100.96 23.27 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.3 t -98.2 -44.12 6.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.48 37.72 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.43 HG11 HH12 ' A' ' 29' ' ' ARG . 17.9 m -127.75 -29.44 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.71 38.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -106.34 -56.86 2.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -108.58 72.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -116.5 -43.63 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -70.0 98.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 45.2 m -69.96 117.52 11.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.52 83.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.428 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 161.03 47.49 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.678 2.252 . . . . 0.0 112.386 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.6 p -107.5 -27.69 10.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.0 t -75.43 99.68 4.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.443 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 t -92.41 88.58 6.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 110.884 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -115.22 125.5 53.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.66 86.96 1.92 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.451 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.6 t -73.78 94.42 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.834 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.2 m -97.59 101.21 12.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.818 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -126.86 98.19 0.5 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -63.21 164.33 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.753 ' O ' HG23 ' A' ' 20' ' ' VAL . 43.8 t-80 -166.59 171.73 11.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.7 mt -48.48 101.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 18' ' ' HIS . 98.5 t -121.45 136.08 25.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD2' HG13 ' A' ' 20' ' ' VAL . 64.6 Cg_exo -47.94 120.81 5.14 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.686 2.257 . . . . 0.0 112.334 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t -69.94 -177.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -63.08 -48.09 80.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -75.18 -42.51 55.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -56.52 169.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -162.27 147.53 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.424 HD11 ' HG2' ' A' ' 21' ' ' PRO . 89.8 mt -87.36 128.73 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.823 HG21 HG21 ' A' ' 41' ' ' VAL . 31.6 m -133.95 178.17 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.512 HH12 HG11 ' A' ' 109' ' ' VAL . 30.8 ttp180 -128.32 137.54 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.543 ' HA ' HG12 ' A' ' 41' ' ' VAL . 96.1 t -70.3 156.98 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.493 ' N ' HG12 ' A' ' 30' ' ' VAL . 26.0 mt -134.08 -47.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -169.01 146.28 3.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.657 HG22 ' H ' ' A' ' 35' ' ' GLY . 15.2 m -119.98 119.98 30.63 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.587 0.708 . . . . 0.0 111.167 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 1.37 4.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.657 ' H ' HG22 ' A' ' 33' ' ' THR . . . 101.57 -48.34 1.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -52.16 -174.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 1.6 p-10 -81.54 40.69 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.448 ' O ' HG23 ' A' ' 33' ' ' THR . 26.3 mt -133.01 166.36 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.645 ' O ' HG22 ' A' ' 51' ' ' VAL . 58.0 m80 -152.66 128.37 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.465 ' HG2' HD12 ' A' ' 31' ' ' LEU . 30.7 tt0 -87.6 111.64 21.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.821 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.823 HG21 HG21 ' A' ' 28' ' ' VAL . 26.1 m -120.42 171.23 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -130.01 155.34 46.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 p -98.29 -176.59 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.82 -28.15 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -87.0 26.27 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.36 62.1 6.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -129.91 110.87 12.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 110.952 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -82.4 145.64 29.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.799 ' CE1' HG23 ' A' ' 41' ' ' VAL . 19.0 p90 -167.5 173.21 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.7 mt -111.35 150.75 29.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.654 HG11 HG11 ' A' ' 71' ' ' VAL . 29.6 m -130.28 162.21 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -108.26 163.41 13.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.748 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.5 tpt -98.08 128.2 34.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.551 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 66.5 Cg_exo -48.06 157.49 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t -75.43 -44.5 44.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.9 pttp -62.1 -20.3 63.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 13.5 m-30 -95.92 32.01 1.98 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 -63.48 77.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 57' ' ' TYR . 28.2 mttt -161.94 -175.27 4.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -100.11 79.64 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.501 HD12 ' CE ' ' A' ' 53' ' ' MET . 21.3 mt -71.35 137.52 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.407 ' CZ2' ' HD2' ' A' ' 64' ' ' LYS . 13.7 t-105 -77.36 101.66 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.1 mt -116.94 135.05 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HA ' ' HZ1' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -121.39 174.08 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -78.73 139.45 38.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.56 -32.74 5.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -47.72 129.49 13.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.821 0.343 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.486 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 54.3 m-85 -88.25 123.08 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 87' ' ' VAL . 22.6 mt -126.8 159.07 34.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 85' ' ' SER . 75.5 mt -102.14 110.96 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.654 HG11 HG11 ' A' ' 51' ' ' VAL . 15.3 m -106.28 155.79 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.558 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 12.4 t0 -126.73 133.88 25.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 147.5 62.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.709 HD11 ' HG3' ' A' ' 83' ' ' GLU . 12.6 mt -118.84 146.08 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -59.3 -175.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -48.31 114.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.46 -136.14 1.95 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -57.31 -176.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.923 0.392 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -83.85 20.25 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.8 t -100.28 139.21 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.407 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 6.0 mmpt? -78.78 -56.16 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.558 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -143.17 -176.02 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.709 ' HG3' HD11 ' A' ' 74' ' ' ILE . 43.8 mt-10 -139.94 144.8 37.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.748 HD12 ' SD ' ' A' ' 53' ' ' MET . 44.0 mt -53.64 141.13 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.516 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 67.5 m -113.33 -41.7 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 85' ' ' SER . 96.4 m-85 -161.53 155.81 22.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.429 ' HA ' HD22 ' A' ' 69' ' ' LEU . 59.3 t -96.41 122.68 48.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.434 HD23 ' CE1' ' A' ' 92' ' ' HIS . 28.9 mt -87.02 147.1 25.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 90' ' ' LYS . 26.4 p -125.64 162.57 24.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 89' ' ' CYS . 14.8 tptp -34.36 -53.88 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 92' ' ' HIS . 4.8 t0 -62.36 -60.31 3.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t-160 -34.31 -59.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.661 HG22 ' CZ3' ' A' ' 102' ' ' TRP . 77.0 t -48.48 -45.07 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 91' ' ' ASP . 16.6 mmt180 -49.6 -43.49 46.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.8 m -65.87 -62.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 70.5 mt -43.36 -42.91 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -61.74 -45.58 93.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -66.25 -44.27 84.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -59.65 -29.12 67.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.38 40.93 4.08 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.529 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 102' ' ' TRP . 59.8 m-85 -119.65 -45.64 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.661 ' CZ3' HG22 ' A' ' 93' ' ' VAL . 61.7 t-105 -38.22 139.46 0.65 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.6 0.714 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.52 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.7 Cg_endo -69.8 170.96 15.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -94.16 -32.07 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.23 91.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -100.65 24.11 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.6 t -95.91 -38.14 10.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -83.46 40.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.512 HG11 HH12 ' A' ' 29' ' ' ARG . 21.3 m -131.08 -39.71 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.421 ' N ' HG23 ' A' ' 109' ' ' VAL . . . -81.79 -46.44 14.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -52.47 -51.85 57.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -112.23 79.41 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 114' ' ' ASN . 23.4 p-80 -109.54 -42.66 4.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.437 ' N ' ' CG ' ' A' ' 113' ' ' HIS . 0.2 OUTLIER -93.18 173.49 7.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 45.2 t -51.99 -44.0 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 60.74 122.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' A' ' 119' ' ' SER . 54.0 Cg_endo -69.72 -0.36 6.77 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.252 . . . . 0.0 112.348 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.6 m -48.17 90.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 117' ' ' PRO . 98.4 p -61.53 135.86 57.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.926 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -76.07 -45.78 32.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.5 t -103.81 135.95 44.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.817 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.03 145.04 19.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.9 p -65.9 89.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.819 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.1 m 39.31 42.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.83 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.85 -64.15 3.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -126.69 162.16 26.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.368 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.49 ' O ' HG23 ' A' ' 20' ' ' VAL . 40.8 t-80 -66.32 172.44 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.98 119.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 18' ' ' HIS . 52.0 t -131.35 127.11 21.62 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.647 0.737 . . . . 0.0 111.134 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -47.98 123.28 8.41 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 t -78.72 -177.34 5.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -62.51 -36.32 82.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -81.76 -39.12 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.449 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 52.1 mt-30 -72.24 158.52 35.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -154.77 144.51 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.1 mt -88.98 136.52 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.098 HG21 HG21 ' A' ' 41' ' ' VAL . 26.8 m -143.25 171.28 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.525 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 9.4 ttt-85 -115.51 135.08 54.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.869 ' HA ' HG12 ' A' ' 41' ' ' VAL . 57.3 t -71.93 144.3 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.592 HD12 ' HG2' ' A' ' 40' ' ' GLU . 43.2 mt -114.41 -64.6 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' HD3' ' N ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -152.81 144.92 23.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.614 HG22 ' H ' ' A' ' 35' ' ' GLY . 9.2 m -112.11 120.81 40.94 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.538 0.685 . . . . 0.0 111.184 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -10.75 29.38 Favored 'Trans proline' 0 N--CA 1.466 -0.134 0 C-N-CA 122.736 2.291 . . . . 0.0 112.345 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.614 ' H ' HG22 ' A' ' 33' ' ' THR . . . 115.75 -49.79 0.83 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -51.71 -174.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -81.4 40.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.725 HD23 ' HA ' ' A' ' 52' ' ' SER . 20.5 mt -133.88 169.81 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.778 ' O ' HG22 ' A' ' 51' ' ' VAL . 53.2 m80 -154.75 134.4 12.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.592 ' HG2' HD12 ' A' ' 31' ' ' LEU . 23.0 tt0 -91.78 123.62 35.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 1.098 HG21 HG21 ' A' ' 28' ' ' VAL . 20.9 m -131.71 173.02 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.091 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -136.01 142.76 44.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.3 p -86.73 174.42 8.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.9 -23.14 64.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -89.63 24.08 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.06 61.71 7.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -130.72 103.53 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.7 mtt85 -86.25 142.46 28.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -168.74 179.16 4.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -111.0 157.59 19.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 39' ' ' HIS . 29.3 m -138.5 150.43 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.725 ' HA ' HD23 ' A' ' 38' ' ' LEU . 5.0 t -99.53 164.17 12.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.799 ' SD ' HD12 ' A' ' 84' ' ' ILE . 6.0 tpt -97.23 130.63 29.2 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.594 0.711 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.495 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.5 Cg_exo -47.99 164.34 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.229 . . . . 0.0 112.394 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.8 m -80.45 -39.16 28.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.518 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 26.6 pttt -71.2 -15.29 62.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.518 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.1 m-30 -95.2 27.6 3.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -60.3 79.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' TYR . 15.3 tptt -175.06 137.33 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -60.5 87.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.1 mt -75.11 149.56 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 14.8 t-105 -78.27 101.54 7.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 53.8 mt -120.51 137.17 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -131.12 171.73 12.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -70.74 144.1 51.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.59 -23.74 9.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.48 ' O ' HG23 ' A' ' 30' ' ' VAL . 9.3 t0 -56.17 126.62 26.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.878 ' O ' HD23 ' A' ' 69' ' ' LEU . 81.9 m-85 -89.6 130.08 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 68' ' ' PHE . 12.0 mt -137.42 170.54 15.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 85' ' ' SER . 96.6 mt -111.42 119.76 60.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.712 HG11 HG11 ' A' ' 51' ' ' VAL . 6.0 m -114.45 150.99 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -120.12 135.78 24.61 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.661 0.743 . . . . 0.0 110.877 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 151.01 68.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.937 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.3 mt -118.97 158.75 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' GLU . 6.3 pt-20 -82.3 176.55 9.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 75' ' ' GLU . 51.0 mm-40 -37.73 102.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -163.87 -125.78 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.94 168.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 18.55 0.84 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.1 t -99.98 134.64 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.474 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 9.3 mmpt? -69.55 -54.13 15.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.469 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -144.1 177.13 8.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.123 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.937 ' HG3' HD11 ' A' ' 74' ' ' ILE . 30.3 mt-10 -136.52 140.37 42.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.799 HD12 ' SD ' ' A' ' 53' ' ' MET . 53.9 mt -47.89 157.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.14 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.502 ' N ' HG22 ' A' ' 84' ' ' ILE . 9.4 m -131.99 -34.41 1.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 85' ' ' SER . 94.4 m-85 -161.36 168.09 24.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.9 t -111.71 105.99 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.496 HD23 ' CE1' ' A' ' 92' ' ' HIS . 17.8 mt -68.39 154.06 42.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' LYS . 69.0 m -132.88 162.07 32.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' CYS . 37.6 mttt -36.21 -51.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' HIS . 50.7 m-20 -60.16 -59.48 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.496 ' CE1' HD23 ' A' ' 88' ' ' LEU . 2.8 t-160 -35.76 -57.47 0.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.623 HG12 ' HG3' ' A' ' 97' ' ' GLN . 90.3 t -48.39 -48.18 13.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.4 mmm-85 -46.6 -35.87 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 58.3 m -71.81 -73.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.29 -22.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.623 ' HG3' HG12 ' A' ' 93' ' ' VAL . 4.6 mm100 -79.14 -36.78 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 7.3 ptpp? -81.85 -35.16 29.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 24.1 mt-10 -69.16 -19.79 64.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.32 38.94 6.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -115.21 -48.13 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.523 ' CD2' ' HD2' ' A' ' 103' ' ' PRO . 61.3 t-105 -39.64 138.57 0.98 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.523 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.5 Cg_endo -69.74 156.63 62.91 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -77.28 -48.14 18.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -46.24 -28.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.461 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 9.1 m-30 -101.56 -30.61 11.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.8 t -45.18 -29.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.06 28.67 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 106' ' ' PHE . 53.8 t -117.71 -39.79 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -84.66 -62.64 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 110' ' ' ALA . 19.8 tp10 -36.15 -49.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -110.19 95.29 5.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -144.11 120.41 10.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -102.47 82.85 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.3 t -56.83 -57.96 10.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -172.93 -80.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.53 5.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.4 t -108.56 -52.39 2.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.0 m -87.13 151.49 23.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.8 t -119.11 92.38 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -97.03 148.86 22.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.92 110.41 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.521 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.4 t -88.6 149.38 23.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.383 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.5 m -98.33 111.57 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -151.99 -75.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -73.94 136.57 43.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.608 ' O ' HG23 ' A' ' 20' ' ' VAL . 54.2 t-80 -72.1 170.51 13.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 86.1 mt -47.71 124.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 18' ' ' HIS . 74.7 t -131.95 130.53 22.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.717 . . . . 0.0 111.151 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HD3' HD21 ' A' ' 96' ' ' LEU . 64.1 Cg_exo -47.94 123.1 8.1 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.359 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 m -67.57 174.91 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -60.15 -48.56 81.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -75.85 -37.11 59.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -64.07 161.24 16.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -154.76 149.23 26.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.5 mt -88.91 125.19 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.628 HG21 HG21 ' A' ' 41' ' ' VAL . 12.7 m -130.23 -179.66 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.453 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 17.8 ttt180 -125.99 134.99 51.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 67' ' ' ASP . 60.6 t -70.87 147.25 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.507 HD12 ' HG2' ' A' ' 40' ' ' GLU . 21.9 mt -119.44 -51.7 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 32' ' ' ARG . 4.8 ptp180 -168.05 156.26 8.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.571 HG22 ' H ' ' A' ' 35' ' ' GLY . 34.8 m -123.61 121.14 26.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 111.133 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -18.0 37.18 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.571 ' H ' HG22 ' A' ' 33' ' ' THR . . . 122.24 -46.84 1.07 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -53.48 -174.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.624 ' O ' HD23 ' A' ' 38' ' ' LEU . 11.7 p-10 -81.34 40.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 37' ' ' ASN . 22.5 mt -135.6 169.88 16.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.661 ' O ' HG22 ' A' ' 51' ' ' VAL . 51.2 m-70 -152.05 132.26 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.507 ' HG2' HD12 ' A' ' 31' ' ' LEU . 26.2 tt0 -89.76 113.56 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.628 HG21 HG21 ' A' ' 28' ' ' VAL . 19.8 m -120.06 -175.71 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.461 ' HB3' HD11 ' A' ' 31' ' ' LEU . 6.1 pt-20 -145.89 147.88 32.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.473 ' HA ' HG12 ' A' ' 28' ' ' VAL . 12.0 p -89.63 178.35 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.09 -22.21 61.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -91.56 25.43 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.29 61.66 7.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -130.79 104.88 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -82.04 143.73 31.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.477 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 30.4 p90 -167.18 176.65 6.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -109.52 147.72 32.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.668 HG11 HG11 ' A' ' 71' ' ' VAL . 30.9 m -122.85 165.5 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.535 ' HB3' HG11 ' A' ' 80' ' ' VAL . 6.6 p -99.8 179.26 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.632 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.8 tpt -124.96 119.14 25.5 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -47.98 162.29 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.331 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.6 t -76.85 -47.44 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.56 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 31.8 pttt -60.46 -15.81 30.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.0 m-30 -95.48 30.26 2.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -67.15 80.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -175.02 -179.49 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -95.49 81.74 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.422 HG22 HG13 ' A' ' 63' ' ' ILE . 25.2 mt -70.77 150.36 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.482 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 26.0 t90 -76.73 87.07 3.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.422 HG13 HG22 ' A' ' 61' ' ' ILE . 47.1 mt -116.46 110.65 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.482 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 45.8 mtmt -120.66 172.05 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -66.31 125.92 27.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.453 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 111.4 -29.2 8.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 30' ' ' VAL . 5.5 t70 -64.65 125.92 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.815 ' O ' HD23 ' A' ' 69' ' ' LEU . 12.6 m-85 -89.01 136.27 33.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.815 HD23 ' O ' ' A' ' 68' ' ' PHE . 11.1 mt -140.31 154.91 46.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 85' ' ' SER . 66.6 mt -94.42 119.0 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.668 HG11 HG11 ' A' ' 51' ' ' VAL . 17.7 m -111.32 150.94 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.488 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -116.82 126.18 27.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 147.11 62.35 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.907 HD11 ' CG ' ' A' ' 83' ' ' GLU . 10.5 mt -121.19 149.59 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -67.09 -178.87 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -42.01 113.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.41 -134.81 1.78 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -53.76 175.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.5 18.53 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.535 HG11 ' HB3' ' A' ' 52' ' ' SER . 88.3 t -100.21 140.97 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.475 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 10.7 mmpt? -76.34 -66.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.488 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -132.32 178.02 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.907 ' CG ' HD11 ' A' ' 74' ' ' ILE . 8.3 mt-10 -128.22 136.9 51.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.632 HD12 ' SD ' ' A' ' 53' ' ' MET . 72.1 mt -52.56 147.94 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.2 m -122.0 -45.95 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -154.26 164.03 39.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.633 ' HA ' HD22 ' A' ' 69' ' ' LEU . 62.6 t -107.82 104.59 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.5 mt -67.43 145.09 55.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 90' ' ' LYS . 2.3 t -121.89 162.15 21.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 89' ' ' CYS . 62.8 mttp -36.97 -43.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 92' ' ' HIS . 1.4 p-10 -66.78 -61.39 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.876 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 93' ' ' VAL . 3.9 t-80 -36.96 -59.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 94' ' ' ARG . 58.4 t -36.29 -70.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' VAL . 1.8 mpt_? -36.2 -47.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -51.09 -64.84 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.405 HD21 ' HD3' ' A' ' 21' ' ' PRO . 40.8 mt -51.2 -41.81 60.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -56.58 -52.13 65.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -66.28 -33.46 75.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -69.16 -24.16 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.11 38.81 5.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -120.11 -45.37 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.524 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 58.6 t-105 -40.15 139.3 1.04 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.75 -172.69 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.623 2.216 . . . . 0.0 112.36 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -105.94 -41.6 5.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.0 -34.66 63.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.402 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 3.9 m-85 -102.09 17.16 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -95.7 -31.55 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -91.79 23.57 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.0 m -118.49 -19.37 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.47 -54.43 2.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -40.75 -52.02 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -92.16 88.12 6.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -171.67 128.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -83.63 102.51 12.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.6 p -77.52 -49.66 14.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -162.03 -170.97 27.52 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.548 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 92.61 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.653 2.235 . . . . 0.0 112.38 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.7 m -40.02 111.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.0 p -47.89 123.47 6.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 m 53.53 42.27 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -45.21 106.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.72 -58.65 0.4 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.6 p 44.81 40.62 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 m -83.29 -58.51 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -179.54 -62.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.11 110.95 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.791 ' O ' HG23 ' A' ' 20' ' ' VAL . 60.7 t-80 -71.49 168.13 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.42 ' N ' ' ND1' ' A' ' 18' ' ' HIS . 84.0 mt -43.35 129.04 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 18' ' ' HIS . 59.3 t -139.13 139.14 22.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 111.165 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.598 ' HD2' HG13 ' A' ' 20' ' ' VAL . 65.1 Cg_exo -47.92 121.98 6.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.314 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.521 ' HB2' ' NE2' ' A' ' 25' ' ' GLN . 7.4 t -62.2 174.91 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.438 ' OD1' ' C ' ' A' ' 23' ' ' ASN . 29.6 t-20 -54.95 -52.82 61.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -75.15 -37.11 61.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.521 ' NE2' ' HB2' ' A' ' 22' ' ' SER . 18.2 mt-30 -53.12 167.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -159.8 148.84 17.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.463 HD11 HD13 ' A' ' 96' ' ' LEU . 96.1 mt -91.75 117.54 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.959 HG21 HG21 ' A' ' 41' ' ' VAL . 19.1 m -125.12 175.13 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.491 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 55.1 ttp180 -123.17 129.49 51.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.81 ' HA ' HG12 ' A' ' 41' ' ' VAL . 18.1 t -64.03 150.22 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.485 HD12 ' HG2' ' A' ' 40' ' ' GLU . 25.1 mt -121.48 -59.16 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -160.71 134.86 7.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.623 HG22 ' H ' ' A' ' 35' ' ' GLY . 9.0 m -104.37 120.72 49.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.589 0.709 . . . . 0.0 111.131 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -0.86 7.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.623 ' H ' HG22 ' A' ' 33' ' ' THR . . . 105.08 -50.56 0.83 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -52.2 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.926 0.394 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' O ' HD23 ' A' ' 38' ' ' LEU . 29.7 p30 -81.23 40.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.508 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 20.1 mt -134.85 166.9 21.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 38' ' ' LEU . 42.3 m-70 -153.06 137.54 16.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' HG2' HD12 ' A' ' 31' ' ' LEU . 37.4 tt0 -96.46 110.78 23.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.959 HG21 HG21 ' A' ' 28' ' ' VAL . 19.9 m -120.88 170.58 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -133.48 146.39 51.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -88.47 -178.87 5.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.84 -19.53 60.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -91.81 24.13 3.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.19 61.68 7.18 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -133.79 108.31 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.994 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -85.42 144.42 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.464 ' HZ ' HG11 ' A' ' 28' ' ' VAL . 20.1 p90 -167.67 173.34 8.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -107.09 155.93 19.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.484 HG11 HG11 ' A' ' 71' ' ' VAL . 19.3 m -139.13 147.35 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 t -93.96 163.89 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.751 ' SD ' HD12 ' A' ' 84' ' ' ILE . 4.9 tpt -96.34 132.27 26.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.496 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.6 Cg_exo -48.02 143.84 13.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.268 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.2 m -64.21 -8.69 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.627 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -93.19 -39.68 10.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.627 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 22.1 m-30 -82.26 38.33 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -64.22 76.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 57' ' ' TYR . 21.8 ttmt -175.96 137.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -55.56 89.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 62' ' ' TRP . 21.3 mt -76.34 153.65 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.468 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 28.3 t90 -78.29 88.09 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 56.1 mt -117.46 116.46 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 34.4 mtmt -115.45 171.65 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.26 146.57 50.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.48 -30.51 8.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 30' ' ' VAL . 7.2 t0 -65.48 134.06 52.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.491 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 71.5 m-85 -94.89 123.3 38.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 87' ' ' VAL . 11.9 mt -124.55 162.29 24.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 85' ' ' SER . 93.1 mt -104.44 116.3 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 84' ' ' ILE . 12.8 m -113.23 157.1 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.442 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 10.4 t70 -125.76 135.66 27.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.48 67.65 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.948 HD11 ' HG3' ' A' ' 83' ' ' GLU . 11.6 mt -124.19 153.0 30.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 76' ' ' GLU . 4.7 pt-20 -72.37 173.23 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 75' ' ' GLU . 34.9 mt-10 -35.7 111.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -163.15 -137.1 2.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -58.45 -174.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -83.17 21.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.9 t -100.16 138.11 25.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -82.98 -50.87 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.442 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -145.91 178.71 7.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.948 ' HG3' HD11 ' A' ' 74' ' ' ILE . 17.6 mt-10 -136.24 139.77 42.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.751 HD12 ' SD ' ' A' ' 53' ' ' MET . 64.8 mt -50.05 156.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.539 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 20.0 m -129.05 -43.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.539 ' CG ' ' O ' ' A' ' 85' ' ' SER . 92.5 m-85 -162.95 153.07 16.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.441 ' HA ' HD22 ' A' ' 69' ' ' LEU . 90.3 t -95.02 107.64 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 70' ' ' ILE . 29.1 mt -66.03 146.77 54.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 33.6 m -122.16 171.86 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -42.35 -61.09 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 94' ' ' ARG . 8.8 m-20 -54.56 -58.98 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.6 t-160 -36.47 -59.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.489 HG22 ' CH2' ' A' ' 102' ' ' TRP . 71.8 t -48.44 -38.17 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 91' ' ' ASP . 17.7 mmt180 -59.51 -47.89 83.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' LYS . 26.4 m -60.03 -66.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.463 HD13 HD11 ' A' ' 27' ' ' ILE . 95.9 mt -41.87 -44.02 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -60.88 -35.64 77.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 95' ' ' SER . 4.8 mmmm -77.36 -47.51 19.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -59.14 -26.15 64.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.87 45.01 3.47 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -121.29 -38.06 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.524 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 50.5 t-105 -47.11 139.14 7.36 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.602 0.715 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.6 Cg_endo -69.78 -174.54 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.673 2.248 . . . . 0.0 112.345 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -107.39 -38.95 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.59 -8.45 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.636 ' O ' HG22 ' A' ' 109' ' ' VAL . 13.4 m-85 -126.17 10.95 7.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -87.23 -35.23 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.87 38.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 106' ' ' PHE . 16.9 m -129.58 -38.22 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.1 -42.13 48.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -56.0 138.31 49.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.7 tttp 45.55 43.85 9.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.426 ' CG ' ' N ' ' A' ' 114' ' ' ASN . 11.7 p80 -63.65 -49.74 72.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.426 ' N ' ' CG ' ' A' ' 113' ' ' HIS . 67.3 m-20 -93.23 90.02 6.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.9 t -102.54 134.52 45.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 124.67 -115.11 2.39 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 118' ' ' SER . 54.0 Cg_endo -69.79 -9.9 27.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.609 2.206 . . . . 0.0 112.352 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 117' ' ' PRO . 46.5 t -34.92 120.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m -151.51 151.96 32.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.427 -179.934 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.4 t -107.14 -50.13 3.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.3 p -147.35 163.93 34.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.43 -148.63 4.79 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.3 m -147.64 167.15 25.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.384 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.5 p -108.94 7.69 26.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.9 70.52 0.48 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -98.39 -3.1 37.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.57 ' O ' HG23 ' A' ' 20' ' ' VAL . 52.0 t-80 -103.55 170.94 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 76.2 mt -49.79 114.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 18' ' ' HIS . 67.5 t -130.54 132.56 24.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -48.0 119.36 3.83 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.657 2.238 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.7 p -74.6 178.57 5.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -28.35 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -92.3 -36.9 12.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.408 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 18.8 mt-30 -70.91 159.95 33.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -151.58 150.49 30.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -93.59 124.24 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.779 HG21 HG21 ' A' ' 41' ' ' VAL . 16.1 m -129.29 172.31 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 22.0 ttt180 -119.45 130.37 55.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.728 ' HA ' HG12 ' A' ' 41' ' ' VAL . 92.1 t -68.25 137.58 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 42' ' ' GLU . 22.2 mt -109.19 -53.58 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -162.74 161.21 26.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.541 HG22 ' H ' ' A' ' 35' ' ' GLY . 15.5 m -133.42 123.87 17.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -20.32 35.13 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.541 ' H ' HG22 ' A' ' 33' ' ' THR . . . 127.62 -49.22 0.93 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -51.75 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.55 ' O ' HD23 ' A' ' 38' ' ' LEU . 9.4 p-10 -81.33 40.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 37' ' ' ASN . 19.1 mt -134.8 164.78 26.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.592 ' CE1' HG21 ' A' ' 63' ' ' ILE . 40.9 m-70 -151.16 138.49 19.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -95.03 109.96 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.779 HG21 HG21 ' A' ' 28' ' ' VAL . 28.8 m -116.77 170.39 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.518 ' HB3' HD11 ' A' ' 31' ' ' LEU . 8.5 pt-20 -134.92 148.24 50.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.7 p -90.93 -176.27 4.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.492 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . . . -75.76 -23.77 55.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -90.39 25.78 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.54 62.22 6.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -130.74 103.3 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.923 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.419 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 51.4 mtt180 -82.49 143.01 31.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.672 ' HZ ' HG11 ' A' ' 28' ' ' VAL . 43.3 p90 -167.05 173.41 9.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.6 mt -108.81 155.89 20.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.473 HG11 HG11 ' A' ' 71' ' ' VAL . 35.8 m -137.13 150.1 26.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -93.58 170.84 9.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.716 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.4 tpt -108.77 128.45 25.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.702 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.558 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 64.8 Cg_exo -47.94 162.12 0.3 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -80.02 -38.47 31.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.8 pttp -70.02 -15.76 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 12.7 m-30 -97.72 28.87 3.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.81 81.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -173.5 178.8 2.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -88.54 91.75 8.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' A' ' 62' ' ' TRP . 17.7 mt -86.8 153.44 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.441 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 18.4 t-105 -74.73 92.95 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.592 HG21 ' CE1' ' A' ' 39' ' ' HIS . 52.2 mt -120.43 120.24 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 19.2 mtmt -141.17 178.37 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 -71.36 148.08 47.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.428 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 81.24 -6.69 62.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.464 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.25 123.67 28.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.825 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.854 ' O ' HD23 ' A' ' 69' ' ' LEU . 31.6 m-85 -88.73 130.11 35.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.854 HD23 ' O ' ' A' ' 68' ' ' PHE . 12.1 mt -142.61 150.16 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.408 ' CG2' ' HB3' ' A' ' 25' ' ' GLN . 89.1 mt -89.28 131.09 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.473 HG11 HG11 ' A' ' 51' ' ' VAL . 4.6 m -126.78 151.89 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.597 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 7.4 t70 -120.62 137.03 25.81 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.645 0.736 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.54 66.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.298 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.976 HD11 ' CG ' ' A' ' 83' ' ' GLU . 5.8 mt -114.64 159.54 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.416 ' N ' HG22 ' A' ' 74' ' ' ILE . 2.9 pt-20 -77.41 175.88 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -45.68 95.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.48 -115.58 1.07 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -77.92 -174.64 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -83.21 22.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.8 t -100.06 137.19 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.458 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 2.8 mmpt? -76.04 -57.39 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 72' ' ' ASP . . . -141.13 177.26 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.976 ' CG ' HD11 ' A' ' 74' ' ' ILE . 3.5 mt-10 -129.45 132.67 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.716 HD12 ' SD ' ' A' ' 53' ' ' MET . 73.9 mt -45.91 146.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 71.7 m -119.03 -46.67 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -153.41 168.74 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.614 ' HA ' HD22 ' A' ' 69' ' ' LEU . 95.3 t -111.43 112.59 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 40.1 mt -75.38 143.17 42.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.47 172.29 7.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -48.42 -42.84 33.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -70.4 -57.83 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.844 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.6 t-160 -37.66 -57.33 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.405 HG22 ' CZ3' ' A' ' 102' ' ' TRP . 65.7 t -45.52 -40.2 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 91' ' ' ASP . 20.6 mmt180 -53.73 -53.89 45.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 98' ' ' LYS . 71.2 m -52.73 -69.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.9 mt -38.09 -42.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -63.86 -44.71 92.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 95' ' ' SER . 13.0 ptmt -79.1 -14.07 59.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -85.8 -18.04 34.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.85 33.7 17.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -119.25 -41.92 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.523 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 60.9 t-105 -43.02 139.45 2.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.586 0.708 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.9 Cg_endo -69.78 -163.89 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -115.06 -39.23 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -58.92 -18.78 36.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -114.66 17.31 17.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 t -100.28 -31.65 11.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -91.52 11.54 23.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.5 m -107.78 -17.13 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.36 89.79 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 113' ' ' HIS . 5.2 mm-40 -120.92 96.28 5.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 111' ' ' GLU . 12.2 ptmm? 35.19 31.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 111' ' ' GLU . 2.9 t-80 -51.63 -53.59 36.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.808 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -60.83 133.73 56.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.9 t -68.76 130.25 42.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 138.49 148.34 5.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 167.28 24.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.337 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.0 p -37.02 -47.78 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.4 t -70.28 -54.76 11.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.7 m -134.02 92.81 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.3 p -67.64 -49.13 64.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.86 113.22 1.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -134.77 154.77 51.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -123.34 150.06 44.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.97 -76.47 0.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -37.46 124.51 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.672 ' O ' HG23 ' A' ' 20' ' ' VAL . 48.4 t-80 -96.7 170.03 9.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.414 ' N ' ' CG ' ' A' ' 18' ' ' HIS . 76.8 mt -46.14 112.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 18' ' ' HIS . 77.8 t -133.27 134.5 24.13 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.624 0.726 . . . . 0.0 111.1 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.498 ' HG2' HD11 ' A' ' 27' ' ' ILE . 64.2 Cg_exo -47.92 122.93 7.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.0 m -71.84 173.06 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -56.55 -48.07 78.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.449 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 20.7 mt-30 -71.78 -38.38 70.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -65.31 173.83 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -165.35 150.47 9.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.498 HD11 ' HG2' ' A' ' 21' ' ' PRO . 77.7 mt -91.44 135.15 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.781 HG21 HG21 ' A' ' 41' ' ' VAL . 17.6 m -141.49 162.39 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.45 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . 26.1 ttp180 -109.0 138.01 46.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 67' ' ' ASP . 92.5 t -71.87 150.66 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' CD1' ' HD3' ' A' ' 48' ' ' ARG . 43.8 mt -125.04 -61.83 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -150.82 177.54 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.49 HG22 ' H ' ' A' ' 35' ' ' GLY . 3.0 m -146.62 120.87 5.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.525 0.679 . . . . 0.0 111.139 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -5.94 17.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.23 . . . . 0.0 112.332 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.49 ' H ' HG22 ' A' ' 33' ' ' THR . . . 111.73 -47.14 1.07 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -56.59 -174.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -81.5 40.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 33' ' ' THR . 15.6 mt -132.54 167.7 19.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.51 ' CE1' HD13 ' A' ' 63' ' ' ILE . 66.7 m80 -153.28 140.82 19.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -95.37 103.1 14.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.781 HG21 HG21 ' A' ' 28' ' ' VAL . 33.7 m -108.03 169.16 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -133.32 146.87 51.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.0 p -89.02 175.03 7.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.504 ' HB2' ' HB2' ' A' ' 103' ' ' PRO . . . -72.29 -20.12 61.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -91.31 24.06 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.6 62.63 5.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -136.27 105.58 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 39.0 mtt85 -85.85 142.92 28.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.422 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 24.2 p90 -167.17 173.14 9.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.28 156.86 17.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.663 HG11 HG11 ' A' ' 71' ' ' VAL . 33.6 m -136.85 151.31 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.428 ' HB2' HG11 ' A' ' 80' ' ' VAL . 0.9 OUTLIER -97.14 162.37 13.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.537 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.9 tpt -95.87 131.47 29.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.546 0.689 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.527 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 66.1 Cg_exo -48.02 160.65 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.4 t -83.17 -15.99 48.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.555 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 14.7 pttm -93.47 -15.43 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.4 m-30 -93.64 23.33 4.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -57.99 79.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 57' ' ' TYR . 36.5 mttt -166.15 -176.43 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -99.19 84.43 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.427 HD12 ' CE ' ' A' ' 53' ' ' MET . 22.7 mt -79.82 136.93 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.578 ' CZ2' ' NZ ' ' A' ' 64' ' ' LYS . 7.4 t90 -74.81 86.97 2.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.51 HD13 ' CE1' ' A' ' 39' ' ' HIS . 72.8 mt -95.99 140.54 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.578 ' NZ ' ' CZ2' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -138.02 -177.36 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -82.57 143.31 31.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.81 -41.3 2.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 30' ' ' VAL . 4.5 t0 -43.01 119.81 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.462 ' O ' HD23 ' A' ' 69' ' ' LEU . 30.9 m-85 -88.68 130.22 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.589 HD22 ' HA ' ' A' ' 87' ' ' VAL . 13.6 mt -130.39 170.0 14.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 85' ' ' SER . 70.3 mt -109.72 114.29 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.663 HG11 HG11 ' A' ' 51' ' ' VAL . 14.6 m -109.24 151.93 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.484 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 32.9 t70 -119.29 133.13 23.76 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.605 0.717 . . . . 0.0 110.842 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.449 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 54.0 Cg_endo -69.75 148.09 64.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.865 HD11 ' HG3' ' A' ' 83' ' ' GLU . 12.0 mt -119.98 154.35 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.73 171.75 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -37.2 110.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.03 -133.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.67 -174.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.947 0.403 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 19.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.428 HG11 ' HB2' ' A' ' 52' ' ' SER . 87.8 t -100.18 137.73 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.45 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 8.7 mmpt? -82.09 -48.12 11.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.484 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -151.22 174.78 12.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.865 ' HG3' HD11 ' A' ' 74' ' ' ILE . 55.4 mt-10 -129.85 139.54 51.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.537 HD12 ' SD ' ' A' ' 53' ' ' MET . 62.7 mt -46.49 157.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.062 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.547 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 40.3 m -129.62 -41.06 1.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 85' ' ' SER . 89.4 m-85 -163.05 166.13 23.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.589 ' HA ' HD22 ' A' ' 69' ' ' LEU . 69.6 t -106.81 108.46 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.2 mt -74.7 133.25 42.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.426 ' O ' HG23 ' A' ' 93' ' ' VAL . 82.2 m -103.68 170.12 8.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -44.08 -44.45 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.47 -61.6 1.91 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 93' ' ' VAL . 3.2 t-160 -38.55 -58.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.447 HG13 ' CH2' ' A' ' 102' ' ' TRP . 99.4 t -36.48 -53.37 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -54.67 -58.14 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.6 m -40.57 -60.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.8 mt -53.11 -41.01 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -63.29 -44.15 95.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -67.92 -37.02 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -67.87 -28.56 67.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.67 39.0 4.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 102' ' ' TRP . 75.1 m-85 -119.7 -48.13 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.522 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 61.2 t-105 -36.86 139.47 0.47 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.543 0.687 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.8 148.06 63.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.226 . . . . 0.0 112.35 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -70.44 -45.27 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -48.48 -28.9 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.452 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 7.1 m-30 -104.83 -27.79 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.0 t -48.31 -29.25 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -90.15 24.54 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 106' ' ' PHE . 62.9 t -116.37 -40.82 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -93.17 41.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -124.47 110.16 14.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.2 pttp 40.51 33.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -90.43 93.9 9.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -113.08 108.37 17.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.4 m -145.15 155.04 43.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 155.0 -158.57 28.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 2.53 3.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.383 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.2 t 62.59 45.55 6.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.5 t -65.31 -60.91 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' GLY . 3.5 m -37.39 -50.83 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.832 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.6 t -87.06 116.78 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.24 117.01 5.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.7 t -93.51 86.05 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.378 . . . . 0.0 110.848 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -161.57 134.08 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.05 -125.43 1.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -39.37 147.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.832 ' O ' HG23 ' A' ' 20' ' ' VAL . 54.0 t-80 -146.05 162.73 37.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' HIS . 94.3 mt -35.51 110.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 18' ' ' HIS . 44.4 t -130.09 131.17 23.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 111.128 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.426 ' HG3' ' CD1' ' A' ' 70' ' ' ILE . 65.4 Cg_exo -47.95 119.33 3.78 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.423 ' HB2' ' NE2' ' A' ' 25' ' ' GLN . 2.4 t -63.02 162.72 10.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -49.52 -40.47 37.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -79.17 -37.86 37.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.423 ' NE2' ' HB2' ' A' ' 22' ' ' SER . 21.9 mt-30 -61.74 165.39 5.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -158.34 145.79 18.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.972 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.9 mt -87.23 134.99 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.99 HG21 HG21 ' A' ' 41' ' ' VAL . 19.2 m -139.8 176.85 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -123.67 133.18 53.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.783 ' HA ' HG12 ' A' ' 41' ' ' VAL . 76.6 t -66.86 155.82 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.474 ' N ' HG12 ' A' ' 30' ' ' VAL . 16.2 mt -130.68 -54.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.6 ttp85 -162.66 145.54 10.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.524 HG22 ' H ' ' A' ' 35' ' ' GLY . 4.6 m -119.81 120.67 30.29 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.545 0.688 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -1.69 8.89 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.524 ' H ' HG22 ' A' ' 33' ' ' THR . . . 104.83 -46.76 1.14 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.533 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -54.7 -174.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -81.08 40.7 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 33' ' ' THR . 32.6 mt -133.5 162.78 30.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.452 ' O ' HG22 ' A' ' 51' ' ' VAL . 58.5 m-70 -149.63 138.48 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HG2' HD12 ' A' ' 31' ' ' LEU . 30.1 tt0 -98.26 114.7 27.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.99 HG21 HG21 ' A' ' 28' ' ' VAL . 19.4 m -126.06 174.29 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -134.82 150.67 50.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 p -93.29 -179.38 5.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.66 -23.9 62.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.141 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -90.12 23.99 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.29 62.04 6.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -131.46 105.07 7.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.467 ' HD3' HD13 ' A' ' 31' ' ' LEU . 32.0 mtt180 -83.36 145.82 28.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -169.26 175.82 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.5 mt -107.26 156.0 19.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.715 HG11 HG11 ' A' ' 71' ' ' VAL . 35.8 m -137.82 146.53 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 t -94.92 159.89 14.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.743 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.1 tpt -96.94 130.79 29.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 Cg_exo -47.99 163.51 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.5 p -83.32 -21.25 33.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.59 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 12.8 pttt -84.75 -25.22 28.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.59 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 15.6 m-30 -89.66 37.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -69.15 75.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -159.66 -175.0 4.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.98 79.38 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.442 HD12 ' CE ' ' A' ' 53' ' ' MET . 24.1 mt -69.89 141.54 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.455 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 21.4 t90 -79.14 87.24 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.954 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.421 HG13 HG22 ' A' ' 61' ' ' ILE . 50.4 mt -110.72 111.73 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 5.3 mtmp? -114.61 -178.87 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.3 tpt85 -68.16 146.68 53.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.49 -34.64 2.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.555 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.555 ' O ' HG23 ' A' ' 30' ' ' VAL . 25.4 m-20 -50.02 120.2 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.636 ' O ' HD23 ' A' ' 69' ' ' LEU . 13.9 m-85 -88.35 138.08 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 68' ' ' PHE . 18.2 mt -141.0 163.98 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 85' ' ' SER . 66.9 mt -104.65 125.85 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.715 HG11 HG11 ' A' ' 51' ' ' VAL . 16.1 m -119.43 156.44 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.493 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -123.78 133.76 24.85 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.57 0.7 . . . . 0.0 110.89 179.861 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 148.9 65.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.621 2.214 . . . . 0.0 112.349 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.94 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.1 mt -118.19 155.06 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -76.26 179.83 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -41.91 98.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.44 -121.25 1.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -74.95 -174.96 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 20.32 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.2 t -100.17 140.15 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.461 ' N ' ' HE2' ' A' ' 81' ' ' LYS . 6.4 mmpt? -79.66 -51.54 9.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.493 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -147.44 179.06 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.12 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.94 ' HG3' HD11 ' A' ' 74' ' ' ILE . 27.2 mt-10 -135.21 139.15 44.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.743 HD12 ' SD ' ' A' ' 53' ' ' MET . 67.2 mt -50.21 151.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ILE . 14.1 m -124.85 -43.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -153.33 161.51 42.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.63 ' HA ' HD22 ' A' ' 69' ' ' LEU . 96.6 t -105.93 107.04 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.93 157.51 38.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' CYS . . . . . 0.581 ' O ' HG23 ' A' ' 93' ' ' VAL . 99.2 m -137.71 176.56 8.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -49.02 -43.44 40.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 92' ' ' HIS . 40.9 m-20 -68.28 -64.21 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t-160 -36.72 -58.37 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 89' ' ' CYS . 70.7 t -42.4 -40.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 91' ' ' ASP . 8.6 mmm180 -59.56 -49.27 78.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.4 t -55.86 -64.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 71.6 mt -45.18 -43.34 9.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -58.86 -51.9 68.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -61.89 -45.84 91.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -59.33 -26.81 65.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.24 41.87 4.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -120.25 -42.04 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.533 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 54.0 t-105 -42.64 139.42 2.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.5 Cg_endo -69.77 -178.84 2.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -101.75 -46.37 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.56 -34.8 38.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -102.69 24.44 10.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -103.73 -34.27 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -86.99 23.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.3 m -120.06 -17.37 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.164 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.56 77.03 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 112' ' ' LYS . 31.6 tt0 -129.69 132.24 46.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 111' ' ' GLU . 7.7 mmmm 35.78 46.75 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -87.13 87.91 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -79.15 107.18 11.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 76.4 p -130.74 124.56 31.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.47 146.18 20.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 112.37 3.06 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.1 m -80.83 143.18 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.9 t -62.08 116.72 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 m 40.29 45.13 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.7 m -62.06 132.35 52.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.78 85.71 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t -130.39 151.55 50.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 110.893 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.7 p -51.43 116.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.7 153.2 10.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -53.22 -48.33 68.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 20' ' ' VAL . 57.3 t-80 -115.78 166.61 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.3 mt -50.1 117.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 18' ' ' HIS . 39.6 t -129.06 130.84 23.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 0.0 111.128 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HD3' HD21 ' A' ' 96' ' ' LEU . 65.0 Cg_exo -47.95 125.62 11.81 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m -76.03 174.65 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -55.84 -46.69 78.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.437 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 9.7 mt-30 -75.17 -43.99 49.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.46 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 55.1 mt-30 -64.26 148.35 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -143.87 152.33 41.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.7 mt -87.3 139.04 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.091 HG21 HG21 ' A' ' 41' ' ' VAL . 35.0 m -147.12 155.58 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 17.5 ttt180 -105.35 125.77 51.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.793 ' HA ' HG12 ' A' ' 41' ' ' VAL . 20.9 t -62.87 147.71 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.7 mt -118.72 -61.27 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -150.38 168.52 23.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.641 HG22 ' H ' ' A' ' 35' ' ' GLY . 15.4 m -137.49 119.93 11.24 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -9.63 26.58 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.641 ' H ' HG22 ' A' ' 33' ' ' THR . . . 109.42 -41.98 2.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -57.06 -174.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -81.2 40.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 52' ' ' SER . 86.0 mt -135.94 163.08 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.537 ' O ' HG22 ' A' ' 51' ' ' VAL . 46.6 m80 -145.48 134.64 22.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -94.84 116.38 28.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 1.091 HG21 HG21 ' A' ' 28' ' ' VAL . 23.5 m -125.7 171.41 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -128.78 148.04 50.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 p -95.19 173.75 7.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.171 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.26 -24.77 66.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -88.89 24.96 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.12 55.51 28.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -124.58 109.22 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -88.34 135.64 33.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -160.99 179.93 8.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 mt -112.35 157.8 20.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.97 HG11 HG11 ' A' ' 71' ' ' VAL . 30.3 m -130.94 148.57 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.522 ' HA ' HD23 ' A' ' 38' ' ' LEU . 1.1 t -93.43 159.79 15.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.636 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.6 tpt -101.04 121.57 51.71 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.555 0.693 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.2 Cg_exo -47.96 144.63 11.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.9 m -67.48 -28.64 68.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.539 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 3.7 pttm -78.1 -18.2 55.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.539 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.5 m-30 -93.35 33.06 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 80.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -174.98 135.17 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -57.38 90.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.48 150.8 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.49 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 24.5 t90 -78.36 94.79 4.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.491 HG21 ' CD2' ' A' ' 39' ' ' HIS . 63.7 mt -123.31 105.48 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.49 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 7.1 mtmp? -109.22 -179.54 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -78.77 146.89 33.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.48 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 87.13 -18.61 35.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.443 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.735 ' O ' HG23 ' A' ' 30' ' ' VAL . 4.8 m-20 -74.74 131.9 41.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.914 ' O ' HD23 ' A' ' 69' ' ' LEU . 49.2 m-85 -88.35 146.35 25.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.914 HD23 ' O ' ' A' ' 68' ' ' PHE . 10.4 mt -148.24 163.96 35.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 25' ' ' GLN . 90.9 mt -107.4 111.12 34.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.97 HG11 HG11 ' A' ' 51' ' ' VAL . 32.6 m -96.66 160.13 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.494 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 1.5 p30 -121.13 116.48 31.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.718 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.437 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 53.4 Cg_endo -69.84 138.96 38.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.741 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.5 mt -117.97 164.57 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.473 ' N ' HG22 ' A' ' 74' ' ' ILE . 1.8 pm0 -71.15 -177.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -52.99 107.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.06 -122.93 1.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -66.39 -174.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -79.6 13.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.0 t -100.42 141.97 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.434 ' NZ ' ' HA ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -87.15 -40.15 14.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.494 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -152.38 176.16 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.741 ' HG3' HD11 ' A' ' 74' ' ' ILE . 45.7 mt-10 -129.62 141.18 50.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.636 HD12 ' SD ' ' A' ' 53' ' ' MET . 89.3 mt -53.77 135.18 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.7 m -107.21 -50.42 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -152.65 170.7 19.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.427 ' HA ' HD22 ' A' ' 69' ' ' LEU . 95.0 t -109.61 108.0 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 66.5 mt -66.68 143.24 57.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.7 t -110.88 171.39 7.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -50.32 -47.13 55.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -66.78 -49.29 66.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -45.06 -54.01 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.531 HG13 ' CH2' ' A' ' 102' ' ' TRP . 89.5 t -51.76 -27.4 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -75.81 -44.92 38.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' LEU . 74.5 m -58.47 -66.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.432 HD21 ' HD3' ' A' ' 21' ' ' PRO . 46.3 mt -36.97 -47.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -49.53 -55.86 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -48.84 -59.46 3.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -58.97 -21.26 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 88.26 34.47 9.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -103.63 -14.52 16.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TRP . . . . . 0.531 ' CH2' HG13 ' A' ' 93' ' ' VAL . 61.9 t-105 -76.81 136.84 66.59 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.75 158.8 55.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -77.16 -44.34 30.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -49.94 -31.87 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PHE . . . . . 0.475 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 8.0 m-30 -101.19 -15.56 17.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.0 t -60.41 -26.45 66.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -90.52 20.09 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.05 -41.98 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.51 -60.98 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -47.33 153.2 0.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt 39.69 48.38 1.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -131.9 -53.04 0.99 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -102.17 117.9 35.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.8 m -85.83 154.45 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -168.42 -177.67 39.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.1 Cg_endo -69.76 0.43 5.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.224 . . . . 0.0 112.299 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 117' ' ' PRO . 36.2 m -35.96 131.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.7 p -112.56 -175.45 2.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.838 0.351 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.63 HG13 ' HD2' ' A' ' 21' ' ' PRO . 97.7 t -121.97 139.74 30.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.63 ' HD2' HG13 ' A' ' 20' ' ' VAL . 65.2 Cg_exo -47.95 122.67 7.53 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.734 2.289 . . . . 0.0 112.312 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -68.28 -176.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -65.34 -44.52 87.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -83.4 -36.18 24.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -60.72 159.92 10.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -154.68 152.35 29.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.528 ' CD1' HD13 ' A' ' 96' ' ' LEU . 85.7 mt -95.32 129.45 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.996 HG21 HG21 ' A' ' 41' ' ' VAL . 34.5 m -133.26 176.52 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.436 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 15.5 ttp180 -122.96 133.76 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 67' ' ' ASP . 89.8 t -70.75 152.27 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 30' ' ' VAL . 11.9 mt -126.54 -50.32 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 32' ' ' ARG . 7.5 ttm105 -165.88 159.54 16.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.631 HG22 ' H ' ' A' ' 35' ' ' GLY . 7.3 m -131.5 123.05 19.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -8.25 23.13 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.702 2.268 . . . . 0.0 112.312 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.631 ' H ' HG22 ' A' ' 33' ' ' THR . . . 112.77 -46.3 1.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -52.17 -174.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -81.7 40.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 52' ' ' SER . 41.4 mt -137.67 164.83 27.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.646 ' O ' HG22 ' A' ' 51' ' ' VAL . 33.4 m-70 -150.19 140.7 22.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -93.8 125.96 38.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.996 HG21 HG21 ' A' ' 28' ' ' VAL . 14.1 m -129.98 176.22 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -138.26 142.05 39.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.3 p -86.89 173.91 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.605 ' O ' ' HB2' ' A' ' 105' ' ' ALA . . . -69.35 -21.21 63.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -91.21 24.88 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.66 63.86 4.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.527 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -134.69 107.92 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -84.42 140.06 31.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.597 ' CZ ' ' CG2' ' A' ' 41' ' ' VAL . 34.0 p90 -163.7 178.84 7.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -113.0 156.13 23.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.701 HG11 HG11 ' A' ' 71' ' ' VAL . 27.1 m -133.18 155.42 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.717 ' HA ' HD23 ' A' ' 38' ' ' LEU . 1.3 t -101.11 160.58 14.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.8 tpt -95.96 130.14 32.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.704 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.6 Cg_exo -47.97 139.35 20.23 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.1 p -68.83 -10.16 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.584 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 10.0 pttt -93.48 -26.15 17.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.584 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 13.2 m-30 -87.2 29.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -58.4 79.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 57' ' ' TYR . 16.8 pttm -170.85 179.06 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -90.35 86.83 6.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mt -81.44 146.83 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -78.51 104.48 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.7 mt -124.95 136.47 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -130.46 178.59 6.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -80.48 141.01 35.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.55 -26.28 8.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 30' ' ' VAL . 14.0 t0 -50.07 126.53 14.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.436 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 50.5 m-85 -88.32 124.57 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 87' ' ' VAL . 14.1 mt -129.52 163.86 25.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 85' ' ' SER . 77.3 mt -104.52 111.83 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.701 HG11 HG11 ' A' ' 51' ' ' VAL . 11.7 m -108.67 154.22 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.614 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 27.6 t70 -124.16 135.28 26.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.544 0.688 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 147.24 62.46 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.956 HD11 ' HG3' ' A' ' 83' ' ' GLU . 8.6 mt -116.68 157.01 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 pm0 -64.46 -177.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -57.79 91.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.16 -119.8 2.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -70.99 -174.83 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.918 0.39 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -83.12 20.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.453 HG11 ' HB2' ' A' ' 52' ' ' SER . 59.1 t -100.27 140.98 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.476 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 10.7 mmpt? -78.5 -58.29 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.614 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -143.91 179.22 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.956 ' HG3' HD11 ' A' ' 74' ' ' ILE . 7.0 mt-10 -129.72 140.55 51.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mt -53.12 143.44 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 70' ' ' ILE . 50.2 m -113.46 -46.35 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -156.58 166.07 34.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.513 ' HA ' HD22 ' A' ' 69' ' ' LEU . 87.8 t -106.99 107.89 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.8 mt -70.25 138.85 51.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 90' ' ' LYS . 91.2 m -109.98 160.72 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 94' ' ' ARG . 33.7 ttpt -36.84 -39.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.44 -62.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -38.63 -63.66 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.84 HG13 ' CZ3' ' A' ' 102' ' ' TRP . 98.2 t -37.21 -56.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.41 ' CD ' ' O ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -54.22 -45.77 72.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.7 m -53.03 -57.3 10.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.528 HD13 ' CD1' ' A' ' 27' ' ' ILE . 71.0 mt -52.2 -38.5 58.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -61.03 -42.5 98.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -71.18 -45.85 62.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.47 -23.1 65.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.68 51.5 2.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -130.58 -40.75 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.84 ' CZ3' HG13 ' A' ' 93' ' ' VAL . 61.2 t-105 -44.41 139.48 3.38 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.551 0.691 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.521 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.9 Cg_endo -69.74 162.86 40.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -85.33 -44.67 12.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 44' ' ' ALA . . . -48.36 -26.96 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -103.08 -33.12 9.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 t -41.11 -34.34 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.3 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.87 0.367 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.547 HG13 ' HD2' ' A' ' 21' ' ' PRO . 91.8 t -139.74 136.46 17.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 111.128 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.65 ' CG ' HD11 ' A' ' 27' ' ' ILE . 64.9 Cg_exo -47.96 121.79 6.38 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 m -73.68 176.6 6.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -57.45 -53.07 62.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.431 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 8.5 pt20 -75.08 -37.67 61.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 11.5 mt-30 -69.42 142.07 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -133.99 157.86 44.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.65 HD11 ' CG ' ' A' ' 21' ' ' PRO . 83.4 mt -96.13 122.49 47.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.884 HG21 HG21 ' A' ' 41' ' ' VAL . 17.0 m -127.35 178.72 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.484 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . 26.5 ttp180 -124.34 132.64 53.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 67' ' ' ASP . 46.2 t -65.08 152.03 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.68 HD12 ' HG2' ' A' ' 40' ' ' GLU . 33.8 mt -127.55 -60.9 1.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -161.28 130.73 4.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.775 HG22 ' H ' ' A' ' 35' ' ' GLY . 32.0 m -103.1 121.45 48.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.56 0.695 . . . . 0.0 111.161 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -0.3 6.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.775 ' H ' HG22 ' A' ' 33' ' ' THR . . . 101.01 -46.01 1.35 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -51.83 -174.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -81.29 40.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.664 HD23 ' HA ' ' A' ' 52' ' ' SER . 40.3 mt -137.29 168.06 20.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.633 ' CE1' HD12 ' A' ' 63' ' ' ILE . 43.3 m-70 -150.84 134.46 16.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.68 ' HG2' HD12 ' A' ' 31' ' ' LEU . 31.4 tt0 -92.61 113.24 25.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.884 HG21 HG21 ' A' ' 28' ' ' VAL . 33.8 m -120.35 173.08 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HB3' HD11 ' A' ' 31' ' ' LEU . 6.9 pt-20 -137.05 147.54 46.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.9 p -90.08 -179.5 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.516 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . . . -74.58 -23.56 58.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -88.7 24.04 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.87 62.88 5.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -133.99 104.05 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.446 ' HD3' HD13 ' A' ' 31' ' ' LEU . 47.5 mtt180 -81.99 144.42 30.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.692 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 32.6 p90 -165.5 179.46 6.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -117.84 156.82 27.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.743 HG11 HG11 ' A' ' 71' ' ' VAL . 33.1 m -136.89 158.2 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.664 ' HA ' HD23 ' A' ' 38' ' ' LEU . 5.5 t -99.56 162.23 13.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.772 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.3 tpt -99.97 130.85 25.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.2 Cg_exo -47.94 158.35 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 t -77.01 -28.1 54.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 18.1 pttt -81.87 -21.85 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 10.9 m-30 -86.61 32.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -66.32 79.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -175.12 149.49 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -66.9 88.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.3 mt -77.03 150.7 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.498 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 25.9 t90 -78.83 88.77 4.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.633 HD12 ' CE1' ' A' ' 39' ' ' HIS . 65.0 mt -117.62 110.34 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 28.2 mtmt -114.07 169.99 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -68.3 146.68 53.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.58 -38.02 3.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.737 ' O ' HG23 ' A' ' 30' ' ' VAL . 5.9 m-20 -56.12 131.54 47.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.782 ' O ' HD23 ' A' ' 69' ' ' LEU . 60.8 m-85 -90.54 139.78 30.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 68' ' ' PHE . 13.4 mt -139.87 168.61 19.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 25' ' ' GLN . 96.2 mt -111.54 111.6 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.743 HG11 HG11 ' A' ' 51' ' ' VAL . 28.9 m -102.88 157.66 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.617 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -119.71 128.63 25.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.431 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 54.3 Cg_endo -69.73 143.75 51.96 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.956 HD11 ' CG ' ' A' ' 83' ' ' GLU . 9.5 mt -117.1 154.57 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -75.28 178.41 5.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.89 111.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.89 -128.16 0.93 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.77 -174.75 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -83.37 21.29 1.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.442 ' C ' ' HE2' ' A' ' 81' ' ' LYS . 43.1 t -100.24 136.66 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.476 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 9.9 mmpt? -76.04 -56.76 4.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.617 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -143.44 -176.82 5.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.064 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.956 ' CG ' HD11 ' A' ' 74' ' ' ILE . 16.3 mt-10 -133.24 137.08 45.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.772 HD12 ' SD ' ' A' ' 53' ' ' MET . 61.1 mt -52.33 142.78 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.5 m -116.37 -45.52 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -154.74 168.71 25.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.551 ' HA ' HD22 ' A' ' 69' ' ' LEU . 92.3 t -110.67 123.36 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.87 159.72 18.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.419 ' O ' HG23 ' A' ' 93' ' ' VAL . 15.4 m -134.43 176.6 8.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 mtmm -51.66 -42.13 61.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 94' ' ' ARG . 55.8 m-20 -70.28 -61.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.2 t-160 -37.45 -54.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.711 HG22 ' CZ3' ' A' ' 102' ' ' TRP . 77.6 t -47.12 -41.28 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 91' ' ' ASP . 33.8 mmm-85 -54.0 -56.22 19.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.6 m -51.33 -67.66 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.7 mt -45.32 -44.13 11.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -60.06 -32.64 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -77.29 -39.34 48.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.72 -24.95 65.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.5 31.67 7.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -107.74 -41.75 4.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.711 ' CZ3' HG22 ' A' ' 93' ' ' VAL . 61.3 t-105 -45.21 139.46 4.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.538 0.685 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.581 ' HG2' ' CD2' ' A' ' 106' ' ' PHE . 53.7 Cg_endo -69.79 155.61 65.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 106' ' ' PHE . 35.5 tt0 -73.45 -57.9 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -38.76 -28.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.581 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 3.4 m-30 -101.51 -30.56 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 104' ' ' GLU . 7.2 t -48.65 -28.14 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.809 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 68.7 mt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.876 0.369 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.478 HG13 ' HD2' ' A' ' 21' ' ' PRO . 79.3 t -138.3 135.93 18.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.152 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.492 ' HG2' HD11 ' A' ' 27' ' ' ILE . 64.9 Cg_exo -47.93 132.81 22.59 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.716 2.277 . . . . 0.0 112.356 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.438 ' CB ' ' OE1' ' A' ' 25' ' ' GLN . 14.2 t -79.28 174.63 11.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -59.6 -45.59 91.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -77.04 -44.49 30.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.438 ' OE1' ' CB ' ' A' ' 22' ' ' SER . 15.1 mt-30 -57.21 169.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -161.28 148.44 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.492 HD11 ' HG2' ' A' ' 21' ' ' PRO . 66.6 mt -90.22 131.17 38.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 43' ' ' THR . 8.8 m -136.32 176.76 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -124.0 130.98 53.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.592 ' HA ' HG12 ' A' ' 41' ' ' VAL . 53.2 t -66.92 146.62 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' A' ' 42' ' ' GLU . 25.5 mt -117.94 -49.92 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -167.21 156.98 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 38' ' ' LEU . 2.4 m -127.4 119.17 21.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 0.0 111.165 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.37 5.76 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.47 -49.36 0.9 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -53.49 -174.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -81.18 40.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 33' ' ' THR . 49.8 mt -132.99 163.56 28.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.665 ' O ' HG22 ' A' ' 51' ' ' VAL . 42.4 m-70 -151.81 122.91 7.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -79.84 104.76 10.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.762 HG23 ' CZ ' ' A' ' 49' ' ' PHE . 18.1 m -109.71 172.92 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' A' ' 31' ' ' LEU . 13.8 pt-20 -135.35 149.63 49.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.488 ' HA ' HG12 ' A' ' 28' ' ' VAL . 24.5 p -92.27 -178.25 4.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.59 -27.21 60.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -87.98 26.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.9 67.86 1.99 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -136.3 110.53 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.914 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -83.61 141.07 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.762 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 24.7 p90 -164.51 167.95 18.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -105.86 148.85 27.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 39' ' ' HIS . 27.5 m -130.02 155.81 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -101.07 159.9 14.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.747 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.6 tpt -97.5 129.26 32.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.575 0.702 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.56 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.2 Cg_exo -47.96 160.09 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 m -74.04 -47.58 35.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.549 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 2.0 pttm -60.64 -26.02 66.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 13.0 m-30 -87.98 32.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 10.2 ttp-105 -66.59 77.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 59' ' ' LYS . 6.2 mtpm? -162.46 -177.78 5.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -100.07 78.01 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.469 HD12 ' CE ' ' A' ' 53' ' ' MET . 21.9 mt -69.54 139.13 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.437 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 23.4 t90 -76.02 86.99 2.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.419 HG13 HG22 ' A' ' 61' ' ' ILE . 51.4 mt -110.51 111.82 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.095 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.437 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 5.2 mtmp? -112.07 178.55 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 1.9 tmt_? -71.36 138.0 48.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.09 -28.04 17.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.456 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.7 t0 -61.39 122.99 16.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.636 ' O ' HD23 ' A' ' 69' ' ' LEU . 14.8 m-85 -88.71 132.88 34.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 68' ' ' PHE . 10.9 mt -137.58 159.36 42.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 85' ' ' SER . 81.4 mt -100.56 115.44 41.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 84' ' ' ILE . 5.4 m -111.67 157.59 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.078 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.436 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 23.5 t0 -127.43 134.24 25.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.658 0.742 . . . . 0.0 110.861 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 150.73 68.64 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.868 HD11 ' HG3' ' A' ' 83' ' ' GLU . 9.8 mt -119.76 155.8 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -74.97 -177.97 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -39.02 116.0 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.54 -139.93 2.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.08 -174.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -83.91 23.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.9 t -99.92 140.83 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.458 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 6.0 mmpt? -83.06 -54.62 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.436 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -145.22 -177.7 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.868 ' HG3' HD11 ' A' ' 74' ' ' ILE . 52.3 mt-10 -138.92 141.28 38.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.747 HD12 ' SD ' ' A' ' 53' ' ' MET . 40.2 mt -51.95 153.48 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.423 ' N ' HG22 ' A' ' 84' ' ' ILE . 68.5 m -125.15 -43.27 1.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -157.07 154.89 30.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.601 ' HA ' HD22 ' A' ' 69' ' ' LEU . 90.0 t -97.47 103.92 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.6 140.38 56.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 90' ' ' LYS . 27.4 p -120.74 168.12 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 89' ' ' CYS . 42.5 mtmt -36.61 -65.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 92' ' ' HIS . 1.2 m-20 -50.05 -63.11 1.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 93' ' ' VAL . 2.3 t-160 -36.76 -66.14 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' HIS . 88.5 t -34.61 -60.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.99 -46.13 16.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.3 m -54.1 -65.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 65.2 mt -46.99 -40.99 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -59.88 -47.07 87.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -66.03 -42.4 89.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.5 -25.11 67.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.58 42.53 4.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -122.25 -39.92 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.525 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 56.7 t-105 -43.29 139.26 2.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.563 0.697 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.9 Cg_endo -69.75 170.37 16.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.49 -37.3 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.28 -40.37 74.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -100.01 26.31 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -101.01 -40.76 7.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.894 0.378 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t -130.27 130.41 23.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.737 . . . . 0.0 111.152 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.421 ' HD3' HD21 ' A' ' 96' ' ' LEU . 64.7 Cg_exo -47.99 119.77 4.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.233 . . . . 0.0 112.397 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -66.04 178.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.797 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -62.33 -47.49 84.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -78.89 -31.21 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -68.54 146.54 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -139.44 154.44 47.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.409 HD11 HD13 ' A' ' 96' ' ' LEU . 68.6 mt -92.64 127.73 44.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.402 HG21 HG21 ' A' ' 41' ' ' VAL . 15.6 m -133.15 177.89 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.427 ' NH2' ' NH2' ' A' ' 65' ' ' ARG . 28.3 ttt180 -124.21 137.79 54.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 67' ' ' ASP . 12.8 t -75.11 152.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 mt -125.75 -55.28 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.9 mtm-85 -154.93 177.96 10.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.498 HG22 ' H ' ' A' ' 35' ' ' GLY . 4.0 m -149.98 118.38 3.68 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.578 0.704 . . . . 0.0 111.128 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -7.89 22.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.498 ' H ' HG22 ' A' ' 33' ' ' THR . . . 109.37 -39.73 2.8 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -60.49 -174.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' O ' HD23 ' A' ' 38' ' ' LEU . 14.4 p30 -80.89 40.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 46.2 mt -136.12 161.82 34.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.667 ' CE1' HD12 ' A' ' 63' ' ' ILE . 38.7 m-70 -149.99 129.76 13.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.445 ' OE2' ' C ' ' A' ' 49' ' ' PHE . 3.3 tp10 -85.07 115.69 23.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 30' ' ' VAL . 21.2 m -120.98 172.55 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.15 151.96 51.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.2 p -98.55 173.04 7.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.124 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.83 -26.04 68.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -90.89 24.57 2.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.63 44.48 96.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -110.4 103.3 11.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -85.27 144.13 28.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.593 ' CE1' HG23 ' A' ' 41' ' ' VAL . 12.9 p90 -166.62 -176.51 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.438 HD21 ' OE1' ' A' ' 40' ' ' GLU . 19.4 mt -114.35 152.46 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.698 HG11 HG11 ' A' ' 71' ' ' VAL . 17.4 m -132.29 144.1 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -93.98 158.57 15.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.798 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.8 tpt -95.96 132.42 27.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.573 0.702 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.548 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.4 Cg_exo -47.95 167.56 0.1 OUTLIER 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.8 p -83.78 -34.35 24.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.565 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.1 pttm -76.07 -16.5 59.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.8 m-30 -94.19 23.76 4.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.34 79.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 57' ' ' TYR . 15.9 tptt -175.07 134.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -56.13 92.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.5 mt -81.55 146.38 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -75.46 102.2 5.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.667 HD12 ' CE1' ' A' ' 39' ' ' HIS . 39.3 mt -122.62 138.09 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' CE ' ' O ' ' A' ' 63' ' ' ILE . 9.2 mmpt? -132.74 164.44 26.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.427 ' NH2' ' NH2' ' A' ' 29' ' ' ARG . 1.9 tmt_? -66.75 151.81 46.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.53 -31.73 3.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.707 ' O ' HG23 ' A' ' 30' ' ' VAL . 6.0 t0 -55.81 125.72 22.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 106' ' ' PHE . 66.6 m-85 -88.66 123.48 33.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.623 HD22 ' HA ' ' A' ' 87' ' ' VAL . 13.8 mt -129.0 160.34 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.5 mt -99.19 122.77 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.698 HG11 HG11 ' A' ' 51' ' ' VAL . 33.0 m -115.68 152.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.473 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 9.5 t0 -119.74 129.16 25.5 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.645 0.736 . . . . 0.0 110.824 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.15 67.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.706 2.271 . . . . 0.0 112.301 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.94 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.8 mt -121.7 152.58 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.16 -178.55 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -40.24 118.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -169.07 -135.25 1.86 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -62.83 -174.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -83.11 22.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.02 145.37 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -88.24 -54.51 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.473 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -143.8 179.03 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.067 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.94 ' HG3' HD11 ' A' ' 74' ' ' ILE . 50.9 mt-10 -134.18 137.39 44.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.798 HD12 ' SD ' ' A' ' 53' ' ' MET . 50.6 mt -51.12 139.7 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.456 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 37.2 m -114.09 -42.1 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.456 ' CG ' ' O ' ' A' ' 85' ' ' SER . 91.3 m-85 -160.16 161.23 33.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.623 ' HA ' HD22 ' A' ' 69' ' ' LEU . 46.8 t -103.31 118.44 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 23.2 mt -76.57 144.07 39.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 90' ' ' LYS . 5.5 t -118.43 160.25 22.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 89' ' ' CYS . 0.1 OUTLIER -35.17 -46.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 94' ' ' ARG . 1.1 t0 -68.55 -57.64 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.3 t-160 -37.43 -55.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.438 HG22 ' CZ3' ' A' ' 102' ' ' TRP . 77.2 t -49.74 -40.27 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 91' ' ' ASP . 20.6 mmt180 -53.97 -50.13 67.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 98' ' ' LYS . 51.0 m -59.29 -68.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.421 HD21 ' HD3' ' A' ' 21' ' ' PRO . 78.8 mt -38.28 -39.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -64.83 -43.17 93.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 95' ' ' SER . 2.0 mtpm? -72.41 -38.25 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.8 -25.42 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.75 37.09 6.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.497 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -115.98 -35.86 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.527 ' CD2' ' HD2' ' A' ' 103' ' ' PRO . 59.3 t-105 -49.56 139.35 15.38 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.524 0.678 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.527 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.4 Cg_endo -69.84 -165.09 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -113.75 -42.54 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.13 -26.59 60.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.542 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 6.1 m-85 -106.49 15.88 25.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -98.99 -30.21 12.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.509 ' HB ' ' CE1' ' A' ' 92' ' ' HIS . 90.9 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.859 0.362 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.9 t -140.45 131.91 14.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.443 ' HG2' HD11 ' A' ' 27' ' ' ILE . 64.9 Cg_exo -47.97 123.75 9.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.9 p -63.31 -177.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -61.41 -51.19 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -73.69 -40.56 63.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.478 HE21 HG21 ' A' ' 70' ' ' ILE . 12.5 mt-30 -55.65 166.36 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -159.72 146.84 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.443 HD11 ' HG2' ' A' ' 21' ' ' PRO . 91.4 mt -88.75 129.77 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.862 HG21 HG21 ' A' ' 41' ' ' VAL . 19.6 m -136.93 166.45 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.539 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 17.6 ttp180 -111.82 140.22 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 67' ' ' ASP . 64.9 t -73.38 149.11 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.404 HD13 ' HD3' ' A' ' 48' ' ' ARG . 19.5 mt -124.02 -60.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -142.92 170.18 16.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.523 HG22 ' H ' ' A' ' 35' ' ' GLY . 7.7 m -145.47 111.01 4.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 3.13 2.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.299 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.523 ' H ' HG22 ' A' ' 33' ' ' THR . . . 95.87 -45.61 1.96 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -54.34 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -81.21 40.8 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.411 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 53.4 mt -132.08 163.51 28.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.604 ' O ' HG22 ' A' ' 51' ' ' VAL . 54.6 m-70 -151.92 125.28 8.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -84.58 108.89 17.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.862 HG21 HG21 ' A' ' 28' ' ' VAL . 28.8 m -118.77 171.22 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -135.58 152.02 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.6 p -92.82 -178.12 4.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.592 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . . . -75.22 -24.26 57.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -87.67 23.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.7 67.51 2.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -139.09 106.18 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.404 ' HD3' HD13 ' A' ' 31' ' ' LEU . 40.6 mtt180 -83.74 148.64 26.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.487 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 27.5 p90 -172.08 175.03 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -109.69 152.33 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.688 HG11 HG11 ' A' ' 71' ' ' VAL . 34.8 m -135.35 152.72 32.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -99.84 165.04 11.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.822 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.9 tpt -96.71 133.2 24.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.537 0.684 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.548 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 Cg_exo -47.97 164.69 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.644 2.23 . . . . 0.0 112.361 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.7 m -79.06 -37.09 39.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.587 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 12.6 pttt -67.26 -34.73 78.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.587 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 14.7 m-30 -83.79 37.87 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.9 ttt-85 -64.97 80.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -174.18 177.14 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.59 79.92 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.9 mt -66.7 142.8 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.431 ' CZ2' ' HD2' ' A' ' 64' ' ' LYS . 13.0 t-105 -74.72 101.77 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.22 130.48 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HD2' ' CZ2' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -117.87 177.01 4.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -71.87 147.27 47.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.469 ' N ' ' HD3' ' A' ' 65' ' ' ARG . . . 87.05 -40.82 3.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.742 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -43.29 124.01 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.862 0.363 . . . . 0.0 110.83 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 54.3 m-85 -88.28 132.14 34.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 68' ' ' PHE . 13.2 mt -131.49 164.96 24.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 85' ' ' SER . 92.8 mt -104.01 115.09 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.688 HG11 HG11 ' A' ' 51' ' ' VAL . 16.5 m -107.75 154.1 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.496 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -123.33 130.52 24.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.709 . . . . 0.0 110.883 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 142.35 47.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.295 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.701 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.8 mt -117.5 145.87 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -61.66 -177.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -44.23 117.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.33 -143.47 3.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -52.61 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -83.07 21.49 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.403 ' C ' ' HE3' ' A' ' 81' ' ' LYS . 89.6 t -100.17 138.42 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.462 ' N ' ' HE3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -82.58 -49.69 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.496 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -149.78 -177.2 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.11 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.701 ' HG3' HD11 ' A' ' 74' ' ' ILE . 47.5 mt-10 -141.1 140.33 34.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.822 HD12 ' SD ' ' A' ' 53' ' ' MET . 43.1 mt -49.78 159.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.541 ' N ' HG22 ' A' ' 84' ' ' ILE . 55.9 m -131.52 -42.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -155.44 154.99 32.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.9 t -95.14 107.86 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 39.3 mt -69.68 145.45 52.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' LYS . 2.5 t -126.03 161.75 26.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 89' ' ' CYS . 29.2 mmtm -35.98 -53.23 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -61.31 -56.05 24.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.509 ' CE1' ' HB ' ' A' ' 19' ' ' ILE . 2.9 t-160 -38.45 -57.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.626 HG22 ' CZ3' ' A' ' 102' ' ' TRP . 98.3 t -49.72 -42.93 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -51.63 -44.67 63.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -65.1 -62.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.6 mt -44.0 -43.49 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -63.69 -42.15 98.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -63.73 -50.34 69.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.76 -28.77 68.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.65 38.81 4.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -113.57 -37.74 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.626 ' CZ3' HG22 ' A' ' 93' ' ' VAL . 64.6 t-105 -47.05 138.79 7.36 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.519 0.675 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.521 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 54.1 Cg_endo -69.75 168.32 21.88 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -95.55 -34.88 11.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.592 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -62.26 -7.88 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.425 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 11.8 m-85 -127.75 17.26 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 m -94.02 -34.75 12.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.854 0.359 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.1 t -140.47 126.95 11.93 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.643 0.735 . . . . 0.0 111.133 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.537 ' HG2' HD11 ' A' ' 27' ' ' ILE . 64.7 Cg_exo -47.96 119.26 3.72 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -61.42 158.85 13.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -45.96 -51.05 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -73.61 -40.92 63.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.5 HE21 HG21 ' A' ' 70' ' ' ILE . 7.4 mt-30 -55.64 150.35 12.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -141.02 143.18 34.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.537 HD11 ' HG2' ' A' ' 21' ' ' PRO . 66.8 mt -89.13 120.79 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.927 HG21 HG21 ' A' ' 41' ' ' VAL . 26.9 m -127.41 175.25 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.444 ' CD ' ' HA2' ' A' ' 66' ' ' GLY . 8.2 ttt-85 -118.89 140.83 49.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.632 ' HA ' HG12 ' A' ' 41' ' ' VAL . 84.9 t -73.74 153.41 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 42' ' ' GLU . 24.8 mt -130.46 -57.76 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 32' ' ' ARG . 23.8 mtm105 -155.79 168.22 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 38' ' ' LEU . 1.9 m -144.1 123.45 7.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.557 0.694 . . . . 0.0 111.178 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -6.26 18.18 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.367 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.403 ' H ' HG22 ' A' ' 33' ' ' THR . . . 107.29 -38.12 3.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -58.38 -174.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -81.14 40.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.556 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 21.4 mt -138.2 171.29 14.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.649 ' O ' HG22 ' A' ' 51' ' ' VAL . 32.4 m-70 -154.85 141.87 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -98.27 116.27 30.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.927 HG21 HG21 ' A' ' 28' ' ' VAL . 31.3 m -122.69 177.26 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.512 ' HB3' HD11 ' A' ' 31' ' ' LEU . 7.3 pt-20 -139.15 148.67 43.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 p -93.35 178.39 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . . . -71.11 -20.76 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -90.06 24.14 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.83 58.84 12.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -131.28 107.97 9.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -85.24 137.87 32.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.737 ' CE1' HG23 ' A' ' 41' ' ' VAL . 19.6 p90 -155.41 179.15 9.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -112.01 154.98 24.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 39' ' ' HIS . 32.2 m -130.42 164.64 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.635 ' OG ' HG21 ' A' ' 80' ' ' VAL . 1.5 m -119.15 160.65 21.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.572 ' SD ' HD12 ' A' ' 84' ' ' ILE . 4.2 tpt -96.09 125.18 49.21 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.553 0.692 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.4 Cg_exo -48.01 133.03 23.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -59.62 -11.35 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.557 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 9.8 pttt -95.32 -16.42 22.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.557 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 12.6 m-30 -99.24 45.22 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -68.21 85.98 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -174.88 170.54 3.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -89.25 82.75 6.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.2 mt -74.43 147.67 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.429 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 18.7 t90 -74.75 99.45 3.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.51 106.3 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 6.2 mtmp? -113.08 174.7 5.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.436 ' HG2' ' N ' ' A' ' 66' ' ' GLY . 44.8 ttt180 -68.65 149.69 48.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.444 ' HA2' ' CD ' ' A' ' 29' ' ' ARG . . . 81.61 -41.32 2.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.527 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -43.84 124.52 3.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.886 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.606 ' O ' HD23 ' A' ' 69' ' ' LEU . 33.9 m-85 -88.91 138.42 31.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 68' ' ' PHE . 12.0 mt -142.47 170.48 15.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.5 HG21 HE21 ' A' ' 25' ' ' GLN . 72.8 mt -111.26 113.85 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.609 HG11 HG11 ' A' ' 51' ' ' VAL . 16.2 m -109.07 154.68 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.473 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 21.7 t70 -123.62 133.31 24.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.851 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 151.1 69.02 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.372 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.833 HD11 ' HG3' ' A' ' 83' ' ' GLU . 8.7 mt -123.07 152.59 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.91 -178.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -38.12 122.85 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.29 -143.71 4.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.567 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.92 -174.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.384 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -83.09 21.54 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.635 HG21 ' OG ' ' A' ' 52' ' ' SER . 87.9 t -100.21 136.13 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -80.08 -59.47 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.473 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -138.37 176.26 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.06 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.833 ' HG3' HD11 ' A' ' 74' ' ' ILE . 18.8 mt-10 -132.47 147.24 52.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.572 HD12 ' SD ' ' A' ' 53' ' ' MET . 53.1 mt -53.46 138.42 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.9 m -113.73 -46.04 3.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -156.48 151.57 26.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.487 ' HA ' HD22 ' A' ' 69' ' ' LEU . 56.2 t -94.89 109.89 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.594 HD23 ' CE1' ' A' ' 92' ' ' HIS . 60.7 mt -67.85 138.86 56.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 90' ' ' LYS . 25.6 m -108.12 153.56 22.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 89' ' ' CYS . 29.2 mttt -34.66 -54.19 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -61.43 -44.9 96.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.594 ' CE1' HD23 ' A' ' 88' ' ' LEU . 6.1 t-160 -49.75 -54.74 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.63 HG13 ' CH2' ' A' ' 102' ' ' TRP . 69.7 t -44.67 -63.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -45.69 -48.65 15.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t -52.69 -61.69 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.485 HD21 ' HD3' ' A' ' 21' ' ' PRO . 37.1 mt -44.89 -41.35 7.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.41 ' NE2' HG12 ' A' ' 93' ' ' VAL . 70.7 mt-30 -62.16 -50.97 69.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -57.15 -49.74 75.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.86 -27.51 68.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.13 49.02 2.13 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -127.72 -39.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.63 ' CH2' HG13 ' A' ' 93' ' ' VAL . 59.8 t-105 -48.82 139.3 11.92 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.58 0.705 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.5 Cg_endo -69.77 174.43 9.53 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -95.84 -37.77 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -57.01 -31.97 65.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -105.22 18.86 21.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 t -97.59 -30.51 12.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 77.0 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.845 0.355 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.435 HG13 ' HD2' ' A' ' 21' ' ' PRO . 83.9 t -142.79 134.04 12.81 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.633 0.73 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.435 ' HD2' HG13 ' A' ' 20' ' ' VAL . 64.1 Cg_exo -48.01 119.44 3.91 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.5 m -55.93 177.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -57.85 -46.46 84.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -83.54 -39.13 20.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -53.47 149.05 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -142.65 147.7 36.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.5 mt -87.25 131.44 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.555 HG11 ' HZ ' ' A' ' 49' ' ' PHE . 16.0 m -137.67 172.56 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -118.48 134.44 55.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.853 ' HA ' HG12 ' A' ' 41' ' ' VAL . 60.8 t -68.83 144.12 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.698 HD11 ' HB3' ' A' ' 42' ' ' GLU . 19.5 mt -118.33 -47.98 2.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -165.08 172.48 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 38' ' ' LEU . 6.0 m -148.04 119.63 4.47 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.54 0.686 . . . . 0.0 111.144 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -0.65 7.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.654 2.236 . . . . 0.0 112.333 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.55 ' H ' HG22 ' A' ' 33' ' ' THR . . . 103.22 -43.39 1.68 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.443 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -53.91 -174.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -81.2 40.72 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 52' ' ' SER . 30.5 mt -139.13 169.47 17.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.565 ' CD2' ' O ' ' A' ' 38' ' ' LEU . 35.7 m-70 -153.41 142.31 21.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.616 ' HG2' HD12 ' A' ' 31' ' ' LEU . 44.3 tt0 -97.23 109.04 21.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.853 HG12 ' HA ' ' A' ' 30' ' ' VAL . 9.5 m -115.73 174.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.698 ' HB3' HD11 ' A' ' 31' ' ' LEU . 14.7 pt-20 -135.55 152.15 51.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 p -95.06 171.84 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.29 -26.8 68.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -89.13 25.99 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.24 70.12 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -139.31 105.43 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.596 ' HD3' HD13 ' A' ' 31' ' ' LEU . 31.2 mtt180 -80.31 145.07 32.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.656 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 24.3 p90 -167.6 171.02 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -107.39 151.28 25.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.61 HG11 HG11 ' A' ' 71' ' ' VAL . 24.8 m -133.05 153.61 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.67 ' HA ' HD23 ' A' ' 38' ' ' LEU . 1.7 t -97.74 168.35 10.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.681 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.3 tpt -104.27 131.83 21.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.8 Cg_exo -47.99 174.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.6 p -93.4 -23.23 18.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.577 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 47.1 pttt -87.08 -12.2 47.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.94 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.577 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 12.7 m-30 -98.96 31.06 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -60.43 79.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' TYR . 16.1 tttp -175.12 155.61 1.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -75.1 83.19 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.1 mt -71.17 145.22 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.453 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 25.0 t90 -76.15 87.28 3.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.2 mt -114.34 110.29 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 6.9 mtmp? -115.65 178.63 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -71.67 148.15 46.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.82 -22.02 27.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.565 ' O ' HG23 ' A' ' 30' ' ' VAL . 64.2 t0 -72.63 125.67 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.685 ' O ' HD23 ' A' ' 69' ' ' LEU . 11.1 m-85 -88.15 132.22 34.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 68' ' ' PHE . 13.2 mt -133.41 163.9 28.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 85' ' ' SER . 93.3 mt -107.16 106.06 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.61 HG11 HG11 ' A' ' 51' ' ' VAL . 19.1 m -94.86 162.12 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.549 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -126.62 121.93 23.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 137.9 36.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.646 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.0 mt -117.25 144.66 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.171 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -61.13 -177.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -42.64 120.88 1.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.89 -131.98 1.38 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -62.99 -175.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.43 ' H ' ' CD ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -82.11 17.9 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.434 ' C ' ' HE2' ' A' ' 81' ' ' LYS . 88.5 t -100.27 143.53 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.466 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 7.8 mmpt? -83.65 -52.79 6.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.549 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -147.53 -178.92 6.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.646 ' HG3' HD11 ' A' ' 74' ' ' ILE . 22.4 mt-10 -133.52 139.73 46.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.681 HD12 ' SD ' ' A' ' 53' ' ' MET . 44.6 mt -54.28 144.08 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.498 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 67.2 m -114.4 -39.6 3.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.498 ' CG ' ' O ' ' A' ' 85' ' ' SER . 95.3 m-85 -162.16 163.11 28.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.473 ' HA ' HD22 ' A' ' 69' ' ' LEU . 85.9 t -105.69 102.22 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.8 mt -66.01 149.32 50.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.471 ' O ' HG23 ' A' ' 93' ' ' VAL . 94.4 m -120.92 -177.22 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -53.6 -54.99 29.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' ARG . 1.3 t0 -60.42 -60.13 4.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t-160 -34.92 -58.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.803 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.624 HG22 ' CH2' ' A' ' 102' ' ' TRP . 93.7 t -49.09 -40.3 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 91' ' ' ASP . 17.1 mmt85 -56.52 -43.39 79.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 m -62.31 -70.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 41.2 mt -39.74 -37.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -64.04 -45.7 87.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -71.59 -37.0 71.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.77 -29.19 70.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.29 44.77 2.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -126.72 -42.31 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.624 ' CH2' HG22 ' A' ' 93' ' ' VAL . 54.1 t-105 -42.56 139.22 2.01 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.77 174.29 9.74 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -97.37 -29.02 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.27 98.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.495 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 7.0 m-85 -100.48 22.84 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -97.06 -37.75 10.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 61.5 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.915 0.388 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.594 HG13 ' HD2' ' A' ' 21' ' ' PRO . 92.1 t -125.72 138.34 31.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.614 0.721 . . . . 0.0 111.163 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.594 ' HD2' HG13 ' A' ' 20' ' ' VAL . 65.7 Cg_exo -47.97 129.79 18.71 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -84.08 176.39 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.28 -54.44 46.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -42.09 88.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.465 ' HB3' HG23 ' A' ' 70' ' ' ILE . 56.4 mt-30 -66.12 171.23 4.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -159.99 147.62 16.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.579 HD11 ' CG ' ' A' ' 21' ' ' PRO . 59.4 mt -90.14 119.8 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.721 HG21 HG21 ' A' ' 41' ' ' VAL . 17.5 m -127.27 165.54 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.8 ttt-85 -114.1 132.17 56.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.821 ' HA ' HG12 ' A' ' 41' ' ' VAL . 72.7 t -64.54 156.78 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.484 ' N ' HG12 ' A' ' 30' ' ' VAL . 21.0 mt -129.56 -46.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.428 ' HG2' ' N ' ' A' ' 33' ' ' THR . 9.0 ttm105 -171.99 152.96 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.657 HG22 ' H ' ' A' ' 35' ' ' GLY . 28.3 m -125.63 121.93 24.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.603 0.716 . . . . 0.0 111.154 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -14.24 36.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.377 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.657 ' H ' HG22 ' A' ' 33' ' ' THR . . . 120.08 -49.66 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.516 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -51.82 -174.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -81.24 40.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.423 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 38.1 mt -133.67 165.8 24.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.571 ' CE1' ' CD1' ' A' ' 63' ' ' ILE . 49.5 m-70 -151.63 138.34 18.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG2' HD12 ' A' ' 31' ' ' LEU . 47.8 tt0 -97.15 113.33 24.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.821 HG12 ' HA ' ' A' ' 30' ' ' VAL . 18.5 m -120.29 179.42 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.4 ' HB3' HD11 ' A' ' 31' ' ' LEU . 14.1 pt-20 -138.88 144.11 39.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.479 ' HA ' HG12 ' A' ' 28' ' ' VAL . 27.5 p -85.52 173.7 10.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.38 -24.17 63.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -89.87 24.86 2.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.14 64.0 4.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -135.66 105.19 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.457 ' HD3' HD13 ' A' ' 31' ' ' LEU . 71.3 mtt180 -83.93 143.04 30.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -167.0 179.33 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -111.31 162.07 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.459 HG11 HG11 ' A' ' 71' ' ' VAL . 33.6 m -144.22 155.18 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -101.26 163.86 12.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.777 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.5 tpt -96.67 132.76 25.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.54 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.5 Cg_exo -47.94 161.38 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.67 2.246 . . . . 0.0 112.321 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 m -79.11 -27.98 42.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.554 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 10.4 pttm -81.71 -21.29 38.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.554 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.3 m-30 -88.25 25.52 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.1 mtp-105 -59.5 79.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' TYR . 10.1 tptm -175.04 140.89 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.03 90.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.1 mt -82.46 146.13 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -77.03 103.25 6.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.571 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 42.1 mt -122.51 138.1 53.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 63' ' ' ILE . 9.4 mmpt? -134.68 170.01 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -73.71 145.4 45.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.85 -6.8 83.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -81.65 130.27 34.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.784 ' O ' HD23 ' A' ' 69' ' ' LEU . 61.6 m-85 -88.29 134.63 33.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.784 HD23 ' O ' ' A' ' 68' ' ' PHE . 12.9 mt -139.94 167.76 21.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 85' ' ' SER . 88.5 mt -108.76 118.05 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.459 HG11 HG11 ' A' ' 51' ' ' VAL . 4.6 m -114.5 155.15 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.49 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 4.3 t0 -125.16 131.76 24.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.588 0.709 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.401 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 53.7 Cg_endo -69.77 146.39 60.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.68 2.253 . . . . 0.0 112.386 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.864 HD11 ' HG3' ' A' ' 83' ' ' GLU . 11.0 mt -117.38 158.36 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' HG22 ' A' ' 74' ' ' ILE . 2.5 pt-20 -74.66 177.79 5.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -38.48 114.9 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.72 -133.08 1.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -174.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.38 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -82.92 21.11 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.8 t -100.2 137.24 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -80.21 -53.1 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.49 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -146.27 177.02 9.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.864 ' HG3' HD11 ' A' ' 74' ' ' ILE . 34.2 mt-10 -129.26 140.78 51.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.777 HD12 ' SD ' ' A' ' 53' ' ' MET . 88.3 mt -50.58 153.79 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.077 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 70' ' ' ILE . 14.9 m -124.14 -44.37 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -157.95 166.58 32.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.623 ' HA ' HD22 ' A' ' 69' ' ' LEU . 96.4 t -107.56 101.44 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.46 146.1 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 3.3 t -113.54 172.84 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -50.37 -49.49 54.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -64.73 -51.59 61.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -43.3 -56.53 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.62 HG13 ' CH2' ' A' ' 102' ' ' TRP . 84.4 t -48.89 -29.35 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -69.98 -49.46 51.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -54.87 -66.3 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.425 HD13 HD11 ' A' ' 27' ' ' ILE . 65.0 mt -41.03 -41.17 1.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -60.49 -42.57 96.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -74.1 -40.85 62.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 101' ' ' PHE . 34.9 mt-10 -62.92 -25.76 68.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.19 39.0 4.94 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.495 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.519 ' CE2' HG11 ' A' ' 20' ' ' VAL . 57.9 m-85 -116.67 -38.24 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.62 ' CH2' HG13 ' A' ' 93' ' ' VAL . 40.9 t-105 -49.76 139.21 16.62 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.554 0.692 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.7 Cg_endo -69.75 176.74 6.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.246 . . . . 0.0 112.321 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -100.56 -9.07 22.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.04 -8.94 54.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -128.21 -10.26 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.6 p -46.12 -51.63 13.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.935 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.6 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.887 0.375 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.4 t -131.75 129.63 22.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 111.11 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.539 ' HD3' HD21 ' A' ' 96' ' ' LEU . 65.1 Cg_exo -48.0 125.22 11.27 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.9 p -68.04 173.27 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -56.28 -45.77 80.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.47 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 42.6 mt-30 -78.45 -36.46 45.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.423 HE21 HG21 ' A' ' 70' ' ' ILE . 22.5 mt-30 -67.97 150.94 47.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -146.47 151.3 37.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.691 HD11 HD13 ' A' ' 96' ' ' LEU . 67.8 mt -87.48 127.87 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.917 HG21 HG21 ' A' ' 41' ' ' VAL . 30.7 m -133.83 164.5 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -111.24 132.29 54.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.827 ' HA ' HG12 ' A' ' 41' ' ' VAL . 57.0 t -68.5 138.57 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 42' ' ' GLU . 24.2 mt -112.74 -58.53 2.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -148.24 -178.57 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 35' ' ' GLY . 2.8 m -156.02 118.35 2.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 111.147 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -3.55 12.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.226 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' H ' HG22 ' A' ' 33' ' ' THR . . . 105.18 -44.36 1.49 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -52.97 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -81.1 40.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.688 HD23 ' HA ' ' A' ' 52' ' ' SER . 18.9 mt -135.89 171.43 14.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.513 ' CE1' HD12 ' A' ' 63' ' ' ILE . 46.1 m-70 -155.2 138.83 16.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.47 112.34 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.917 HG21 HG21 ' A' ' 28' ' ' VAL . 27.3 m -117.49 179.88 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.581 ' HB3' HD11 ' A' ' 31' ' ' LEU . 9.4 pt-20 -138.61 143.99 39.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.0 p -90.02 166.15 13.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.583 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . . . -57.41 -27.75 62.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -87.22 28.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.14 51.47 46.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -117.68 102.46 9.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -79.72 142.55 35.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.587 ' CE1' HG23 ' A' ' 41' ' ' VAL . 10.4 p90 -168.12 178.76 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -112.9 159.98 18.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.765 HG11 HG11 ' A' ' 71' ' ' VAL . 33.4 m -140.68 151.76 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.688 ' HA ' HD23 ' A' ' 38' ' ' LEU . 5.9 t -97.11 161.67 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.872 ' SD ' HD12 ' A' ' 84' ' ' ILE . 6.5 tpt -99.41 132.5 23.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.557 0.694 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.459 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.3 Cg_exo -47.98 163.92 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.299 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.2 m -80.37 -37.27 32.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.497 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 37.6 pttt -72.92 -14.99 61.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.497 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 10.3 m-30 -95.37 24.68 4.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -58.52 80.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 57' ' ' TYR . 27.0 mtmt -168.25 172.33 8.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -91.95 81.61 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.422 HD12 ' CE ' ' A' ' 53' ' ' MET . 13.2 mt -72.87 140.48 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -74.96 106.27 6.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.513 HD12 ' CE1' ' A' ' 39' ' ' HIS . 71.2 mt -126.17 135.13 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -129.28 175.29 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -76.67 126.92 31.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.68 -22.34 24.15 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 30' ' ' VAL . 5.4 t0 -64.35 128.49 36.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.87 ' O ' HD23 ' A' ' 69' ' ' LEU . 49.4 m-85 -90.29 130.07 36.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.87 HD23 ' O ' ' A' ' 68' ' ' PHE . 12.8 mt -133.39 165.12 25.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 85' ' ' SER . 89.5 mt -107.56 105.07 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.765 HG11 HG11 ' A' ' 51' ' ' VAL . 32.8 m -93.7 157.91 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.56 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -124.09 122.1 26.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.89 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.47 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 54.0 Cg_endo -69.69 143.2 50.43 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.852 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.6 mt -119.53 154.55 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' GLU . 5.4 pt-20 -72.13 -177.43 2.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 75' ' ' GLU . 58.1 mm-40 -37.45 122.88 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.05 -130.45 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -68.72 -174.9 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.45 ' N ' ' HE3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -82.95 20.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.4 t -100.18 135.16 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -77.8 -51.85 9.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -146.48 177.47 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.852 ' HG3' HD11 ' A' ' 74' ' ' ILE . 23.8 mt-10 -129.65 140.25 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.872 HD12 ' SD ' ' A' ' 53' ' ' MET . 76.6 mt -54.71 139.36 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' ILE . 19.5 m -108.57 -48.09 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -154.36 169.6 23.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.687 ' HA ' HD22 ' A' ' 69' ' ' LEU . 98.6 t -107.84 104.35 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.459 HD12 ' C ' ' A' ' 68' ' ' PHE . 12.7 mt -67.17 150.02 49.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 90' ' ' LYS . 28.6 m -130.5 164.23 25.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 89' ' ' CYS . 23.6 mmmt -38.07 -41.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' HIS . 14.3 m-20 -68.78 -64.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.0 t-160 -35.63 -58.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' HIS . 91.9 t -36.24 -58.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.6 -55.18 5.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.7 m -46.13 -54.54 8.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.691 HD13 HD11 ' A' ' 27' ' ' ILE . 50.9 mt -63.26 -37.71 88.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -62.01 -40.28 95.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -72.29 -47.64 48.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.0 -21.4 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 88.44 33.71 10.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -106.63 -37.51 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.529 ' CD2' ' HD2' ' A' ' 103' ' ' PRO . 53.0 t-105 -47.66 137.86 9.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.564 0.697 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.529 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.4 Cg_endo -69.74 -170.2 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.272 . . . . 0.0 112.34 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -110.06 -35.39 6.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.583 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -62.56 -23.28 66.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -112.08 21.81 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 t -100.95 -39.01 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 66.1 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.894 0.378 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.3 t -128.3 125.48 23.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.477 ' HG2' HD11 ' A' ' 27' ' ' ILE . 64.3 Cg_exo -47.97 120.68 5.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -66.48 168.61 8.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -52.0 -36.37 49.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.38 -38.26 22.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -67.85 145.63 54.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -137.33 151.63 48.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.477 HD11 ' HG2' ' A' ' 21' ' ' PRO . 78.9 mt -96.84 130.27 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.615 HG21 HG21 ' A' ' 41' ' ' VAL . 19.2 m -134.38 179.65 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.463 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 19.2 ttt180 -125.28 139.77 53.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.732 ' HA ' HG12 ' A' ' 41' ' ' VAL . 23.3 t -77.09 152.01 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mt -127.74 -55.3 1.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 -154.36 162.75 40.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 35' ' ' GLY . 2.5 m -134.63 119.58 14.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 111.172 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -1.03 7.8 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.706 2.27 . . . . 0.0 112.329 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' H ' HG22 ' A' ' 33' ' ' THR . . . 103.23 -40.22 2.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -61.06 -174.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.435 ' O ' HD23 ' A' ' 38' ' ' LEU . 42.7 p30 -81.46 40.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.49 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 16.9 mt -133.24 166.93 21.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.608 ' O ' HG22 ' A' ' 51' ' ' VAL . 39.2 m-70 -152.3 127.7 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.476 ' OE1' HD21 ' A' ' 50' ' ' LEU . 3.4 tp10 -85.03 102.74 13.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 30' ' ' VAL . 7.8 m -110.35 178.71 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -143.49 147.45 34.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.9 p -87.13 -179.36 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.19 -19.47 59.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -91.77 23.74 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.8 61.73 7.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -133.39 101.32 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -80.28 142.91 34.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.412 ' HZ ' HG11 ' A' ' 28' ' ' VAL . 22.4 p90 -166.32 174.94 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.476 HD21 ' OE1' ' A' ' 40' ' ' GLU . 22.4 mt -105.8 156.38 18.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.827 HG11 HG11 ' A' ' 71' ' ' VAL . 27.0 m -139.85 142.88 31.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -89.19 161.22 16.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.745 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.9 tpt -101.82 132.62 21.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.541 0.686 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 66.4 Cg_exo -48.02 170.93 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.697 2.265 . . . . 0.0 112.357 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -83.91 -41.97 16.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.56 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.0 pttm -66.55 -26.85 67.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 12.3 m-30 -84.46 24.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -60.7 78.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' TYR . 2.8 ttpm? -175.21 134.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -56.53 87.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 62' ' ' TRP . 26.2 mt -74.66 155.21 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.537 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 28.4 t90 -81.91 87.73 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.431 HG23 HG21 ' A' ' 30' ' ' VAL . 86.0 mt -116.64 115.01 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.537 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 43.4 mtmt -118.95 170.78 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -57.75 146.72 30.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.463 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 89.41 -35.73 3.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.454 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.701 ' O ' HG23 ' A' ' 30' ' ' VAL . 35.7 t0 -53.72 122.28 9.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.578 ' O ' HD23 ' A' ' 69' ' ' LEU . 28.1 m-85 -90.99 129.02 37.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 68' ' ' PHE . 14.3 mt -127.74 168.05 15.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 85' ' ' SER . 91.9 mt -111.26 107.64 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.827 HG11 HG11 ' A' ' 51' ' ' VAL . 22.5 m -102.18 157.08 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -122.34 129.64 25.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 110.855 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.0 49.45 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.841 HD11 ' HG3' ' A' ' 83' ' ' GLU . 8.9 mt -118.79 153.8 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.78 177.8 1.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -42.42 113.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.95 -141.13 3.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -51.97 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -82.6 18.66 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.9 t -100.15 138.19 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -83.44 -44.57 14.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.502 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -153.91 178.4 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.841 ' HG3' HD11 ' A' ' 74' ' ' ILE . 44.8 mt-10 -134.1 138.39 45.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.745 HD12 ' SD ' ' A' ' 53' ' ' MET . 40.9 mt -55.36 146.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' ILE . 30.2 m -115.33 -42.65 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.815 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -153.18 173.02 16.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -114.29 104.76 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.4 mt -69.04 154.21 42.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' LYS . 26.7 p -133.1 159.49 39.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' CYS . 2.4 mmmm -34.77 -45.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' HIS . 5.5 m-20 -63.58 -63.87 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' VAL . 3.3 t-160 -36.58 -59.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.535 HG22 ' CH2' ' A' ' 102' ' ' TRP . 84.6 t -34.27 -59.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.414 HH12 ' CE ' ' A' ' 90' ' ' LYS . 8.7 mpt_? -43.07 -58.66 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.1 m -41.78 -61.74 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 39.6 mt -55.22 -43.36 74.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -56.92 -39.26 74.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -72.45 -47.76 46.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.51 -22.61 66.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.85 40.81 5.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -115.46 -35.84 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.535 ' CH2' HG22 ' A' ' 93' ' ' VAL . 49.8 t-105 -53.61 139.18 50.31 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.572 0.701 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 54.1 Cg_endo -69.67 -175.05 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.382 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -108.74 -34.39 6.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.36 -7.56 14.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -125.35 12.5 8.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -93.11 -30.83 15.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.925 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 80.6 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.886 0.374 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.0 t -123.88 130.97 24.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.711 . . . . 0.0 111.129 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.485 ' HD3' HD21 ' A' ' 96' ' ' LEU . 64.2 Cg_exo -48.0 119.61 4.06 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.256 . . . . 0.0 112.365 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -70.21 152.41 44.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -42.14 -50.46 4.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -66.25 -46.07 78.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -60.55 175.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -162.28 153.15 17.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.433 HD11 ' HG2' ' A' ' 21' ' ' PRO . 72.8 mt -94.32 125.14 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.626 HG21 HG21 ' A' ' 41' ' ' VAL . 30.5 m -135.77 165.81 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.517 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 28.0 ttt180 -113.68 138.13 50.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 67' ' ' ASP . 33.5 t -70.56 159.52 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.504 ' N ' HG12 ' A' ' 30' ' ' VAL . 35.4 mt -129.07 -63.42 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -158.51 127.88 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.64 HG22 ' H ' ' A' ' 35' ' ' GLY . 9.7 m -94.74 120.42 64.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.574 0.702 . . . . 0.0 111.199 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -1.79 9.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.64 ' H ' HG22 ' A' ' 33' ' ' THR . . . 103.34 -49.3 0.96 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -52.43 -174.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.7 p30 -81.36 40.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' A' ' 52' ' ' SER . 40.2 mt -138.1 160.63 38.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.52 ' O ' HG22 ' A' ' 51' ' ' VAL . 31.0 m-70 -145.41 132.17 20.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -89.49 114.83 26.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.627 HG12 ' HA ' ' A' ' 30' ' ' VAL . 6.5 m -119.52 177.56 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -140.62 143.4 35.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.404 ' HA ' HG12 ' A' ' 28' ' ' VAL . 17.5 p -86.7 176.62 7.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.79 -19.54 60.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -92.14 23.48 3.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.3 65.63 3.32 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -138.92 107.91 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -85.63 143.44 28.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.541 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 26.2 p90 -165.94 179.9 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -114.68 155.82 25.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.621 HG11 HG11 ' A' ' 71' ' ' VAL . 31.5 m -136.68 143.31 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.526 ' HA ' HD23 ' A' ' 38' ' ' LEU . 2.1 t -87.56 163.73 16.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.778 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.6 tpt -98.44 133.27 22.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.688 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.4 Cg_exo -48.0 169.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 t -87.03 -25.49 24.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.568 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 19.9 pttt -84.73 -16.26 42.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.568 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 12.1 m-30 -94.23 31.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -63.05 79.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -175.02 166.18 3.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -81.61 85.31 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.444 HD12 ' CE ' ' A' ' 53' ' ' MET . 22.1 mt -74.71 141.17 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.442 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 23.0 t90 -75.04 87.18 2.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.8 mt -115.07 109.03 26.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 7.6 mtmp? -105.4 -178.51 3.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -79.07 144.97 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.74 -35.13 4.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 30' ' ' VAL . 8.0 t0 -58.84 127.33 31.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 29' ' ' ARG . 56.3 m-85 -89.81 132.82 35.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.641 HD22 ' HA ' ' A' ' 87' ' ' VAL . 11.3 mt -131.5 169.26 16.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' SER . 97.4 mt -109.8 112.4 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.621 HG11 HG11 ' A' ' 51' ' ' VAL . 10.3 m -111.24 155.28 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.586 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -124.47 136.3 27.61 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.613 0.72 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 150.77 68.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.937 HD11 ' HG3' ' A' ' 83' ' ' GLU . 13.9 mt -119.85 151.35 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.14 173.01 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -39.28 103.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.97 -138.24 2.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -52.25 -177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.374 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -83.05 19.51 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.9 t -100.04 141.94 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.457 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 5.1 mmpt? -81.36 -54.14 5.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 72' ' ' ASP . . . -145.06 179.16 7.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.048 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.937 ' HG3' HD11 ' A' ' 74' ' ' ILE . 26.0 mt-10 -131.49 140.93 49.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.778 HD12 ' SD ' ' A' ' 53' ' ' MET . 62.2 mt -53.51 145.04 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' ILE . 14.4 m -114.42 -44.82 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.448 ' CG ' ' O ' ' A' ' 85' ' ' SER . 91.7 m-85 -160.13 161.54 33.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.641 ' HA ' HD22 ' A' ' 69' ' ' LEU . 72.1 t -102.97 105.49 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.3 mt -66.74 150.44 49.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' LYS . 88.6 m -122.48 159.44 27.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' CYS . 21.0 mmmt -36.34 -45.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -64.03 -56.18 16.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 93' ' ' VAL . 2.1 t-160 -40.61 -62.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 92' ' ' HIS . 93.6 t -34.9 -54.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.51 -51.13 57.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.5 m -49.68 -65.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.485 HD21 ' HD3' ' A' ' 21' ' ' PRO . 39.9 mt -47.13 -44.16 21.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -59.6 -41.34 90.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -69.37 -39.45 78.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.99 -20.68 63.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.87 39.66 6.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -116.0 -42.59 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.523 ' CD2' ' HD2' ' A' ' 103' ' ' PRO . 61.7 t-105 -42.26 137.38 2.19 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.576 0.703 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.523 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 54.0 Cg_endo -69.72 168.67 20.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.377 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -90.57 -30.23 17.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.15 -8.21 29.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -127.48 -2.94 6.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.69 -48.26 82.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.815 0.34 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.9 t -138.3 132.68 16.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 111.161 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.98 119.22 3.69 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.477 ' N ' ' HB2' ' A' ' 25' ' ' GLN . 39.2 m -54.24 -176.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -57.84 -47.55 82.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -82.32 -43.98 16.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.57 HE21 HG21 ' A' ' 70' ' ' ILE . 14.8 mt-30 -43.91 139.75 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.423 ' OE1' HG22 ' A' ' 43' ' ' THR . 8.2 pt20 -135.3 146.0 48.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.491 HD11 HD13 ' A' ' 96' ' ' LEU . 97.2 mt -89.03 118.87 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.015 HG21 HG21 ' A' ' 41' ' ' VAL . 29.0 m -123.18 176.6 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.482 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 25.8 ttp180 -124.4 142.76 51.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.784 ' HA ' HG12 ' A' ' 41' ' ' VAL . 57.3 t -75.95 148.55 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.432 ' CD1' ' HD3' ' A' ' 48' ' ' ARG . 49.4 mt -124.7 -60.24 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -151.86 142.15 22.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.722 HG22 ' H ' ' A' ' 35' ' ' GLY . 37.6 m -115.68 116.64 40.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.591 0.71 . . . . 0.0 111.157 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 3.03 2.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.722 ' H ' HG22 ' A' ' 33' ' ' THR . . . 96.04 -48.57 1.78 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -51.64 -174.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -81.59 40.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 52' ' ' SER . 79.1 mt -136.89 162.0 34.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.521 ' O ' HG22 ' A' ' 51' ' ' VAL . 56.1 m-70 -146.74 139.47 25.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -99.99 110.89 23.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 1.015 HG21 HG21 ' A' ' 28' ' ' VAL . 32.7 m -121.47 174.21 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -134.94 152.73 51.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.423 HG22 ' OE1' ' A' ' 26' ' ' GLN . 11.7 p -93.29 -179.58 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.08 -25.05 61.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -88.39 24.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.74 66.72 2.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -137.63 104.96 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.432 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 50.6 mtt180 -81.48 146.6 30.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.551 ' HZ ' HG11 ' A' ' 28' ' ' VAL . 33.8 p90 -167.6 172.45 9.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -107.11 153.33 22.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.667 HG11 HG11 ' A' ' 71' ' ' VAL . 30.2 m -131.25 166.76 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.618 ' OG ' HG21 ' A' ' 80' ' ' VAL . 1.4 m -116.81 162.35 17.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.768 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.0 tpt -96.09 130.36 31.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.714 . . . . 0.0 110.861 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.562 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 Cg_exo -48.02 141.93 16.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.335 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.3 m -59.76 -38.88 83.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.16 -8.32 58.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.562 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 3.5 m-30 -94.03 30.7 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -66.62 85.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -174.86 173.61 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -92.37 77.79 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.5 mt -68.2 145.46 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.161 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -74.92 101.56 4.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.6 mt -121.64 136.2 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -131.63 162.09 31.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 66' ' ' GLY . 14.7 ttt180 -64.45 145.98 55.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.475 ' N ' ' HG2' ' A' ' 65' ' ' ARG . . . 82.93 -32.66 2.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.545 ' O ' HG23 ' A' ' 30' ' ' VAL . 28.9 t0 -46.86 128.02 10.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.586 ' O ' HD23 ' A' ' 69' ' ' LEU . 24.5 m-85 -88.13 131.84 34.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 87' ' ' VAL . 11.4 mt -134.41 161.57 34.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.588 HD11 HD21 ' A' ' 88' ' ' LEU . 57.6 mt -100.69 109.52 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.667 HG11 HG11 ' A' ' 51' ' ' VAL . 20.2 m -101.18 147.25 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.517 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 8.7 t0 -120.59 128.69 25.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.643 0.735 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 143.78 52.09 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 1.001 HD11 ' HG3' ' A' ' 83' ' ' GLU . 8.3 mt -117.06 151.39 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.27 -177.25 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -38.25 121.5 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.4 -146.34 5.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -55.21 -174.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.917 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -83.69 22.12 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.618 HG21 ' OG ' ' A' ' 52' ' ' SER . 96.8 t -100.24 137.28 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.454 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 8.7 mmpt? -78.0 -62.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.517 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -137.42 177.02 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 1.001 ' HG3' HD11 ' A' ' 74' ' ' ILE . 19.2 mt-10 -131.09 145.49 52.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.768 HD12 ' SD ' ' A' ' 53' ' ' MET . 35.4 mt -54.69 139.74 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.9 m -114.16 -48.32 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -155.15 134.32 12.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.658 ' HA ' HD22 ' A' ' 69' ' ' LEU . 88.5 t -79.31 106.98 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.588 HD21 HD11 ' A' ' 70' ' ' ILE . 35.4 mt -67.31 125.48 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 59.0 m -98.29 162.01 13.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.468 ' HE3' ' N ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -40.51 -44.82 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -56.24 13.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' VAL . 3.2 t-160 -40.61 -60.64 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.637 HG22 ' CH2' ' A' ' 102' ' ' TRP . 91.9 t -35.33 -52.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -49.68 72.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.9 m -48.84 -58.22 5.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.491 HD13 HD11 ' A' ' 27' ' ' ILE . 51.5 mt -56.26 -40.65 74.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -58.9 -46.71 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -62.27 -47.06 86.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -61.62 -28.85 69.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.63 31.5 7.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -108.41 -42.6 4.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.362 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.637 ' CH2' HG22 ' A' ' 93' ' ' VAL . 60.8 t-105 -40.0 138.07 1.13 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.566 0.698 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.3 Cg_endo -69.78 160.5 49.47 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -84.3 -40.77 17.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -52.84 -39.11 62.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.077 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -100.96 23.27 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.3 t -98.2 -44.12 6.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.7 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.871 0.367 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.508 HG13 ' HD2' ' A' ' 21' ' ' PRO . 98.5 t -121.45 136.08 25.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD2' HG13 ' A' ' 20' ' ' VAL . 64.6 Cg_exo -47.94 120.81 5.14 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.686 2.257 . . . . 0.0 112.334 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t -69.94 -177.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -63.08 -48.09 80.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -75.18 -42.51 55.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -56.52 169.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -162.27 147.53 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.424 HD11 ' HG2' ' A' ' 21' ' ' PRO . 89.8 mt -87.36 128.73 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.823 HG21 HG21 ' A' ' 41' ' ' VAL . 31.6 m -133.95 178.17 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.486 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 30.8 ttp180 -128.32 137.54 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.543 ' HA ' HG12 ' A' ' 41' ' ' VAL . 96.1 t -70.3 156.98 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.493 ' N ' HG12 ' A' ' 30' ' ' VAL . 26.0 mt -134.08 -47.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -169.01 146.28 3.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.657 HG22 ' H ' ' A' ' 35' ' ' GLY . 15.2 m -119.98 119.98 30.63 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.587 0.708 . . . . 0.0 111.167 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 1.37 4.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.657 ' H ' HG22 ' A' ' 33' ' ' THR . . . 101.57 -48.34 1.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -52.16 -174.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -81.54 40.69 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.468 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 26.3 mt -133.01 166.36 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.645 ' O ' HG22 ' A' ' 51' ' ' VAL . 45.1 m-70 -152.66 128.37 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.465 ' HG2' HD12 ' A' ' 31' ' ' LEU . 30.7 tt0 -87.6 111.64 21.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.821 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.823 HG21 HG21 ' A' ' 28' ' ' VAL . 26.1 m -120.42 171.23 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -130.01 155.34 46.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 p -98.29 -176.59 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.82 -28.15 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -87.0 26.27 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.36 62.1 6.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -129.91 110.87 12.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 110.952 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -82.4 145.64 29.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.799 ' CE1' HG23 ' A' ' 41' ' ' VAL . 19.0 p90 -167.5 173.21 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.7 mt -111.35 150.75 29.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.654 HG11 HG11 ' A' ' 71' ' ' VAL . 29.6 m -130.28 162.21 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -108.26 163.41 13.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.748 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.5 tpt -98.08 128.2 34.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.551 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 66.5 Cg_exo -48.06 157.49 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t -75.43 -44.5 44.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.9 pttp -62.1 -20.3 63.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 13.5 m-30 -95.92 32.01 1.98 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 -63.48 77.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 57' ' ' TYR . 28.2 mttt -161.94 -175.27 4.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -100.11 79.64 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.501 HD12 ' CE ' ' A' ' 53' ' ' MET . 21.3 mt -71.35 137.52 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.407 ' CZ2' ' HD2' ' A' ' 64' ' ' LYS . 13.7 t-105 -77.36 101.66 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.504 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 57.1 mt -116.94 135.05 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HZ1' ' HA ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -121.39 174.08 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -78.73 139.45 38.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.56 -32.74 5.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -47.72 129.49 13.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.821 0.343 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.486 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 54.3 m-85 -88.25 123.08 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 87' ' ' VAL . 22.6 mt -126.8 159.07 34.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 85' ' ' SER . 75.5 mt -102.14 110.96 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.654 HG11 HG11 ' A' ' 51' ' ' VAL . 15.3 m -106.28 155.79 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.558 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 12.4 t0 -126.73 133.88 25.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 147.5 62.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.709 HD11 ' HG3' ' A' ' 83' ' ' GLU . 12.6 mt -118.84 146.08 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -59.3 -175.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -48.31 114.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.46 -136.14 1.95 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -57.31 -176.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.923 0.392 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -83.85 20.25 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.8 t -100.28 139.21 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.407 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 6.0 mmpt? -78.78 -56.16 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.558 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -143.17 -176.02 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.709 ' HG3' HD11 ' A' ' 74' ' ' ILE . 43.8 mt-10 -139.94 144.8 37.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.748 HD12 ' SD ' ' A' ' 53' ' ' MET . 44.0 mt -53.64 141.13 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.516 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 67.5 m -113.33 -41.7 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 85' ' ' SER . 96.4 m-85 -161.53 155.81 22.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.429 ' HA ' HD22 ' A' ' 69' ' ' LEU . 59.3 t -96.41 122.68 48.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.434 HD23 ' CE1' ' A' ' 92' ' ' HIS . 28.9 mt -87.02 147.1 25.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 90' ' ' LYS . 26.4 p -125.64 162.57 24.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 89' ' ' CYS . 14.8 tptp -34.36 -53.88 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 92' ' ' HIS . 4.8 t0 -62.36 -60.31 3.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t-160 -34.31 -59.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.661 HG22 ' CZ3' ' A' ' 102' ' ' TRP . 77.0 t -48.48 -45.07 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 91' ' ' ASP . 16.6 mmt180 -49.6 -43.49 46.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.8 m -65.87 -62.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 70.5 mt -43.36 -42.91 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -61.74 -45.58 93.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -66.25 -44.27 84.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -59.65 -29.12 67.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.38 40.93 4.08 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.529 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 102' ' ' TRP . 59.8 m-85 -119.65 -45.64 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.661 ' CZ3' HG22 ' A' ' 93' ' ' VAL . 61.7 t-105 -38.22 139.46 0.65 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.6 0.714 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.52 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.7 Cg_endo -69.8 170.96 15.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -94.16 -32.07 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.23 91.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -100.65 24.11 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.6 t -95.91 -38.14 10.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.874 0.368 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 52.0 t -131.35 127.11 21.62 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.647 0.737 . . . . 0.0 111.134 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -47.98 123.28 8.41 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 t -78.72 -177.34 5.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -62.51 -36.32 82.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -81.76 -39.12 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.449 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 52.1 mt-30 -72.24 158.52 35.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -154.77 144.51 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.1 mt -88.98 136.52 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.098 HG21 HG21 ' A' ' 41' ' ' VAL . 26.8 m -143.25 171.28 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.525 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 9.4 ttt-85 -115.51 135.08 54.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.869 ' HA ' HG12 ' A' ' 41' ' ' VAL . 57.3 t -71.93 144.3 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.592 HD12 ' HG2' ' A' ' 40' ' ' GLU . 43.2 mt -114.41 -64.6 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.417 ' HD3' ' N ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -152.81 144.92 23.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.614 HG22 ' H ' ' A' ' 35' ' ' GLY . 9.2 m -112.11 120.81 40.94 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.538 0.685 . . . . 0.0 111.184 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -10.75 29.38 Favored 'Trans proline' 0 N--CA 1.466 -0.134 0 C-N-CA 122.736 2.291 . . . . 0.0 112.345 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.614 ' H ' HG22 ' A' ' 33' ' ' THR . . . 115.75 -49.79 0.83 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -51.71 -174.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -81.4 40.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.725 HD23 ' HA ' ' A' ' 52' ' ' SER . 20.5 mt -133.88 169.81 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.778 ' O ' HG22 ' A' ' 51' ' ' VAL . 41.7 m-70 -154.75 134.4 12.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.592 ' HG2' HD12 ' A' ' 31' ' ' LEU . 23.0 tt0 -91.78 123.62 35.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 1.098 HG21 HG21 ' A' ' 28' ' ' VAL . 20.9 m -131.71 173.02 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.091 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -136.01 142.76 44.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.3 p -86.73 174.42 8.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.9 -23.14 64.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -89.63 24.08 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.06 61.71 7.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -130.72 103.53 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.7 mtt85 -86.25 142.46 28.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -168.74 179.16 4.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -111.0 157.59 19.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 39' ' ' HIS . 29.3 m -138.5 150.43 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.725 ' HA ' HD23 ' A' ' 38' ' ' LEU . 5.0 t -99.53 164.17 12.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.799 ' SD ' HD12 ' A' ' 84' ' ' ILE . 6.0 tpt -97.23 130.63 29.2 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.594 0.711 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.495 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.5 Cg_exo -47.99 164.34 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.229 . . . . 0.0 112.394 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.8 m -80.45 -39.16 28.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.518 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 26.6 pttt -71.2 -15.29 62.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.518 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.1 m-30 -95.2 27.6 3.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -60.3 79.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' TYR . 15.3 tptt -175.06 137.33 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -60.5 87.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.1 mt -75.11 149.56 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 14.8 t-105 -78.27 101.54 7.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.492 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 53.8 mt -120.51 137.17 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -131.12 171.73 12.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -70.74 144.1 51.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.59 -23.74 9.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.48 ' O ' HG23 ' A' ' 30' ' ' VAL . 9.3 t0 -56.17 126.62 26.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.878 ' O ' HD23 ' A' ' 69' ' ' LEU . 81.9 m-85 -89.6 130.08 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 68' ' ' PHE . 12.0 mt -137.42 170.54 15.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 85' ' ' SER . 96.6 mt -111.42 119.76 60.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.712 HG11 HG11 ' A' ' 51' ' ' VAL . 6.0 m -114.45 150.99 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -120.12 135.78 24.61 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.661 0.743 . . . . 0.0 110.877 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 151.01 68.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.937 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.3 mt -118.97 158.75 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' GLU . 6.3 pt-20 -82.3 176.55 9.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 75' ' ' GLU . 51.0 mm-40 -37.73 102.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -163.87 -125.78 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.94 168.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 18.55 0.84 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.1 t -99.98 134.64 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.474 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 9.3 mmpt? -69.55 -54.13 15.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.469 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -144.1 177.13 8.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.123 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.937 ' HG3' HD11 ' A' ' 74' ' ' ILE . 30.3 mt-10 -136.52 140.37 42.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.799 HD12 ' SD ' ' A' ' 53' ' ' MET . 53.9 mt -47.89 157.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.14 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.502 ' N ' HG22 ' A' ' 84' ' ' ILE . 9.4 m -131.99 -34.41 1.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 85' ' ' SER . 94.4 m-85 -161.36 168.09 24.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.9 t -111.71 105.99 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.496 HD23 ' CE1' ' A' ' 92' ' ' HIS . 17.8 mt -68.39 154.06 42.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' LYS . 69.0 m -132.88 162.07 32.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' CYS . 37.6 mttt -36.21 -51.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' HIS . 50.7 m-20 -60.16 -59.48 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.496 ' CE1' HD23 ' A' ' 88' ' ' LEU . 2.8 t-160 -35.76 -57.47 0.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.623 HG12 ' HG3' ' A' ' 97' ' ' GLN . 90.3 t -48.39 -48.18 13.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.4 mmm-85 -46.6 -35.87 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 58.3 m -71.81 -73.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.29 -22.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.623 ' HG3' HG12 ' A' ' 93' ' ' VAL . 0.4 OUTLIER -79.14 -36.78 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 7.3 ptpp? -81.85 -35.16 29.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 24.1 mt-10 -69.16 -19.79 64.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.32 38.94 6.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -115.21 -48.13 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.523 ' CD2' ' HD2' ' A' ' 103' ' ' PRO . 61.3 t-105 -39.64 138.57 0.98 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.523 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.5 Cg_endo -69.74 156.63 62.91 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -77.28 -48.14 18.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -46.24 -28.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.461 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 9.1 m-30 -101.56 -30.61 11.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.8 t -45.18 -29.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 -179.894 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.902 0.382 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 74.7 t -131.95 130.53 22.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.717 . . . . 0.0 111.151 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HD3' HD21 ' A' ' 96' ' ' LEU . 64.1 Cg_exo -47.94 123.1 8.1 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.359 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 m -67.57 174.91 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -60.15 -48.56 81.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -75.85 -37.11 59.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.648 HE21 HG21 ' A' ' 70' ' ' ILE . 7.9 mt-30 -64.07 161.24 16.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -154.76 149.23 26.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.5 mt -88.91 125.19 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.628 HG21 HG21 ' A' ' 41' ' ' VAL . 12.7 m -130.23 -179.66 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.453 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 17.8 ttt180 -125.99 134.99 51.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 67' ' ' ASP . 60.6 t -70.87 147.25 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.507 HD12 ' HG2' ' A' ' 40' ' ' GLU . 21.9 mt -119.44 -51.7 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 32' ' ' ARG . 4.8 ptp180 -168.05 156.26 8.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.571 HG22 ' H ' ' A' ' 35' ' ' GLY . 34.8 m -123.61 121.14 26.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 111.133 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -18.0 37.18 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.571 ' H ' HG22 ' A' ' 33' ' ' THR . . . 122.24 -46.84 1.07 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -53.48 -174.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.624 ' O ' HD23 ' A' ' 38' ' ' LEU . 11.7 p-10 -81.34 40.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 37' ' ' ASN . 22.5 mt -135.6 169.88 16.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.661 ' O ' HG22 ' A' ' 51' ' ' VAL . 51.2 m-70 -152.05 132.26 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.507 ' HG2' HD12 ' A' ' 31' ' ' LEU . 26.2 tt0 -89.76 113.56 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.628 HG21 HG21 ' A' ' 28' ' ' VAL . 19.8 m -120.06 -175.71 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.461 ' HB3' HD11 ' A' ' 31' ' ' LEU . 6.1 pt-20 -145.89 147.88 32.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.473 ' HA ' HG12 ' A' ' 28' ' ' VAL . 12.0 p -89.63 178.35 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.09 -22.21 61.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -91.56 25.43 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.29 61.66 7.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -130.79 104.88 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -82.04 143.73 31.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.477 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 30.4 p90 -167.18 176.65 6.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -109.52 147.72 32.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.668 HG11 HG11 ' A' ' 71' ' ' VAL . 30.9 m -122.85 165.5 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.535 ' HB3' HG11 ' A' ' 80' ' ' VAL . 6.6 p -99.8 179.26 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.632 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.8 tpt -124.96 119.14 25.5 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -47.98 162.29 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.331 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.6 t -76.85 -47.44 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.56 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 31.8 pttt -60.46 -15.81 30.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.0 m-30 -95.48 30.26 2.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -67.15 80.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -175.02 -179.49 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.49 81.74 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.422 HG22 HG13 ' A' ' 63' ' ' ILE . 25.2 mt -70.77 150.36 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.482 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 26.0 t90 -76.73 87.07 3.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.422 HG13 HG22 ' A' ' 61' ' ' ILE . 47.1 mt -116.46 110.65 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.482 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 45.8 mtmt -120.66 172.05 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -66.31 125.92 27.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.453 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 111.4 -29.2 8.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 30' ' ' VAL . 5.5 t70 -64.65 125.92 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.815 ' O ' HD23 ' A' ' 69' ' ' LEU . 12.6 m-85 -89.01 136.27 33.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.815 HD23 ' O ' ' A' ' 68' ' ' PHE . 11.1 mt -140.31 154.91 46.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.648 HG21 HE21 ' A' ' 25' ' ' GLN . 66.6 mt -94.42 119.0 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.668 HG11 HG11 ' A' ' 51' ' ' VAL . 17.7 m -111.32 150.94 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.488 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -116.82 126.18 27.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 147.11 62.35 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.907 HD11 ' CG ' ' A' ' 83' ' ' GLU . 10.5 mt -121.19 149.59 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -67.09 -178.87 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -42.01 113.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.41 -134.81 1.78 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -53.76 175.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.5 18.53 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.535 HG11 ' HB3' ' A' ' 52' ' ' SER . 88.3 t -100.21 140.97 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.475 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 10.7 mmpt? -76.34 -66.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.488 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -132.32 178.02 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.907 ' CG ' HD11 ' A' ' 74' ' ' ILE . 8.3 mt-10 -128.22 136.9 51.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.632 HD12 ' SD ' ' A' ' 53' ' ' MET . 72.1 mt -52.56 147.94 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.2 m -122.0 -45.95 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -154.26 164.03 39.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.633 ' HA ' HD22 ' A' ' 69' ' ' LEU . 62.6 t -107.82 104.59 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.5 mt -67.43 145.09 55.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 90' ' ' LYS . 2.3 t -121.89 162.15 21.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 89' ' ' CYS . 62.8 mttp -36.97 -43.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 92' ' ' HIS . 1.4 p-10 -66.78 -61.39 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.876 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 93' ' ' VAL . 3.4 t-160 -36.96 -59.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 94' ' ' ARG . 58.4 t -36.29 -70.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' VAL . 1.8 mpt_? -36.2 -47.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -51.09 -64.84 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.405 HD21 ' HD3' ' A' ' 21' ' ' PRO . 40.8 mt -51.2 -41.81 60.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -56.58 -52.13 65.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -66.28 -33.46 75.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -69.16 -24.16 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.11 38.81 5.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -120.11 -45.37 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.524 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 58.6 t-105 -40.15 139.3 1.04 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.75 -172.69 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.623 2.216 . . . . 0.0 112.36 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -105.94 -41.6 5.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.0 -34.66 63.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.402 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 3.9 m-85 -102.09 17.16 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -95.7 -31.55 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.92 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 84.0 mt . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.845 0.355 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.598 HG13 ' HD2' ' A' ' 21' ' ' PRO . 59.3 t -139.13 139.14 22.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 111.165 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.598 ' HD2' HG13 ' A' ' 20' ' ' VAL . 65.1 Cg_exo -47.92 121.98 6.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.314 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.672 ' H ' ' NE2' ' A' ' 25' ' ' GLN . 7.4 t -62.2 174.91 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.438 ' C ' ' OD1' ' A' ' 23' ' ' ASN . 29.6 t-20 -54.95 -52.82 61.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -75.15 -37.11 61.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.672 ' NE2' ' H ' ' A' ' 22' ' ' SER . 11.8 mt-30 -53.12 167.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -159.8 148.84 17.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.463 HD11 HD13 ' A' ' 96' ' ' LEU . 96.1 mt -91.75 117.54 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.959 HG21 HG21 ' A' ' 41' ' ' VAL . 19.1 m -125.12 175.13 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.491 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 55.1 ttp180 -123.17 129.49 51.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.81 ' HA ' HG12 ' A' ' 41' ' ' VAL . 18.1 t -64.03 150.22 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.485 HD12 ' HG2' ' A' ' 40' ' ' GLU . 25.1 mt -121.48 -59.16 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -160.71 134.86 7.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.623 HG22 ' H ' ' A' ' 35' ' ' GLY . 9.0 m -104.37 120.72 49.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.589 0.709 . . . . 0.0 111.131 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -0.86 7.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.623 ' H ' HG22 ' A' ' 33' ' ' THR . . . 105.08 -50.56 0.83 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -52.2 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.926 0.394 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.421 ' O ' HD23 ' A' ' 38' ' ' LEU . 29.7 p30 -81.23 40.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.508 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 20.1 mt -134.85 166.9 21.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 38' ' ' LEU . 42.3 m-70 -153.06 137.54 16.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.485 ' HG2' HD12 ' A' ' 31' ' ' LEU . 37.4 tt0 -96.46 110.78 23.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.959 HG21 HG21 ' A' ' 28' ' ' VAL . 19.9 m -120.88 170.58 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -133.48 146.39 51.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -88.47 -178.87 5.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.84 -19.53 60.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -91.81 24.13 3.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.19 61.68 7.18 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -133.79 108.31 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.994 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -85.42 144.42 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.464 ' HZ ' HG11 ' A' ' 28' ' ' VAL . 20.1 p90 -167.67 173.34 8.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -107.09 155.93 19.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.484 HG11 HG11 ' A' ' 71' ' ' VAL . 19.3 m -139.13 147.35 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 t -93.96 163.89 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.751 ' SD ' HD12 ' A' ' 84' ' ' ILE . 4.9 tpt -96.34 132.27 26.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.496 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.6 Cg_exo -48.02 143.84 13.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.268 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.2 m -64.21 -8.69 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.627 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -93.19 -39.68 10.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.627 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 22.1 m-30 -82.26 38.33 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -64.22 76.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 57' ' ' TYR . 21.8 ttmt -175.96 137.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -55.56 89.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 62' ' ' TRP . 21.3 mt -76.34 153.65 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.468 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 28.3 t90 -78.29 88.09 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 56.1 mt -117.46 116.46 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 34.4 mtmt -115.45 171.65 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.26 146.57 50.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.48 -30.51 8.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 30' ' ' VAL . 7.2 t0 -65.48 134.06 52.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.491 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 71.5 m-85 -94.89 123.3 38.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 87' ' ' VAL . 11.9 mt -124.55 162.29 24.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.544 HG21 HE21 ' A' ' 25' ' ' GLN . 93.1 mt -104.44 116.3 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 84' ' ' ILE . 12.8 m -113.23 157.1 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.442 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 10.4 t70 -125.76 135.66 27.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.48 67.65 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.948 HD11 ' HG3' ' A' ' 83' ' ' GLU . 11.6 mt -124.19 153.0 30.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 76' ' ' GLU . 4.7 pt-20 -72.37 173.23 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 75' ' ' GLU . 34.9 mt-10 -35.7 111.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -163.15 -137.1 2.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -58.45 -174.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -83.17 21.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.9 t -100.16 138.11 25.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.466 ' N ' ' HE3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -82.98 -50.87 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.442 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -145.91 178.71 7.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.948 ' HG3' HD11 ' A' ' 74' ' ' ILE . 17.6 mt-10 -136.24 139.77 42.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.751 HD12 ' SD ' ' A' ' 53' ' ' MET . 64.8 mt -50.05 156.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.539 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 20.0 m -129.05 -43.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.539 ' CG ' ' O ' ' A' ' 85' ' ' SER . 92.5 m-85 -162.95 153.07 16.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.441 ' HA ' HD22 ' A' ' 69' ' ' LEU . 90.3 t -95.02 107.64 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 70' ' ' ILE . 29.1 mt -66.03 146.77 54.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 33.6 m -122.16 171.86 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -42.35 -61.09 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 94' ' ' ARG . 8.8 m-20 -54.56 -58.98 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.6 t-160 -36.47 -59.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.489 HG22 ' CH2' ' A' ' 102' ' ' TRP . 71.8 t -48.44 -38.17 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 91' ' ' ASP . 17.7 mmt180 -59.51 -47.89 83.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' LYS . 26.4 m -60.03 -66.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.463 HD13 HD11 ' A' ' 27' ' ' ILE . 95.9 mt -41.87 -44.02 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -60.88 -35.64 77.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 95' ' ' SER . 4.8 mmmm -77.36 -47.51 19.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -59.14 -26.15 64.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.87 45.01 3.47 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -121.29 -38.06 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.524 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 50.5 t-105 -47.11 139.14 7.36 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.602 0.715 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.6 Cg_endo -69.78 -174.54 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.673 2.248 . . . . 0.0 112.345 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -107.39 -38.95 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.59 -8.45 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -126.17 10.95 7.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -87.23 -35.23 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 76.2 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.884 0.373 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.5 t -130.54 132.56 24.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -48.0 119.36 3.83 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.657 2.238 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.7 p -74.6 178.57 5.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -28.35 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -92.3 -36.9 12.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.659 HE21 HG21 ' A' ' 70' ' ' ILE . 13.2 mt-30 -70.91 159.95 33.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -151.58 150.49 30.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -93.59 124.24 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.779 HG21 HG21 ' A' ' 41' ' ' VAL . 16.1 m -129.29 172.31 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.428 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 22.0 ttt180 -119.45 130.37 55.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.728 ' HA ' HG12 ' A' ' 41' ' ' VAL . 92.1 t -68.25 137.58 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 42' ' ' GLU . 22.2 mt -109.19 -53.58 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -162.74 161.21 26.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.541 HG22 ' H ' ' A' ' 35' ' ' GLY . 15.5 m -133.42 123.87 17.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -20.32 35.13 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.541 ' H ' HG22 ' A' ' 33' ' ' THR . . . 127.62 -49.22 0.93 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -51.75 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.55 ' O ' HD23 ' A' ' 38' ' ' LEU . 9.4 p-10 -81.33 40.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 37' ' ' ASN . 19.1 mt -134.8 164.78 26.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.592 ' CE1' HG21 ' A' ' 63' ' ' ILE . 40.9 m-70 -151.16 138.49 19.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -95.03 109.96 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.779 HG21 HG21 ' A' ' 28' ' ' VAL . 28.8 m -116.77 170.39 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.518 ' HB3' HD11 ' A' ' 31' ' ' LEU . 8.5 pt-20 -134.92 148.24 50.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.7 p -90.93 -176.27 4.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.492 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . . . -75.76 -23.77 55.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -90.39 25.78 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.54 62.22 6.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -130.74 103.3 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.923 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.419 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 51.4 mtt180 -82.49 143.01 31.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.672 ' HZ ' HG11 ' A' ' 28' ' ' VAL . 43.3 p90 -167.05 173.41 9.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.6 mt -108.81 155.89 20.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.473 HG11 HG11 ' A' ' 71' ' ' VAL . 35.8 m -137.13 150.1 26.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -93.58 170.84 9.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.716 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.4 tpt -108.77 128.45 25.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.702 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.558 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 64.8 Cg_exo -47.94 162.12 0.3 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -80.02 -38.47 31.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.8 pttp -70.02 -15.76 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 12.7 m-30 -97.72 28.87 3.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.81 81.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -173.5 178.8 2.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -88.54 91.75 8.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' A' ' 62' ' ' TRP . 17.7 mt -86.8 153.44 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.441 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 18.4 t-105 -74.73 92.95 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.592 HG21 ' CE1' ' A' ' 39' ' ' HIS . 52.2 mt -120.43 120.24 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 19.2 mtmt -141.17 178.37 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 -71.36 148.08 47.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.428 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 81.24 -6.69 62.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.464 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.25 123.67 28.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.825 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.854 ' O ' HD23 ' A' ' 69' ' ' LEU . 31.6 m-85 -88.73 130.11 35.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.854 HD23 ' O ' ' A' ' 68' ' ' PHE . 12.1 mt -142.61 150.16 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.659 HG21 HE21 ' A' ' 25' ' ' GLN . 89.1 mt -89.28 131.09 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.473 HG11 HG11 ' A' ' 51' ' ' VAL . 4.6 m -126.78 151.89 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.597 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 7.4 t70 -120.62 137.03 25.81 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.645 0.736 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.54 66.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.298 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.976 HD11 ' CG ' ' A' ' 83' ' ' GLU . 5.8 mt -114.64 159.54 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.416 ' N ' HG22 ' A' ' 74' ' ' ILE . 2.9 pt-20 -77.41 175.88 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -45.68 95.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.48 -115.58 1.07 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -77.92 -174.64 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -83.21 22.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.8 t -100.06 137.19 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.458 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 2.8 mmpt? -76.04 -57.39 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 72' ' ' ASP . . . -141.13 177.26 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.976 ' CG ' HD11 ' A' ' 74' ' ' ILE . 3.5 mt-10 -129.45 132.67 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.716 HD12 ' SD ' ' A' ' 53' ' ' MET . 73.9 mt -45.91 146.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 71.7 m -119.03 -46.67 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -153.41 168.74 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.614 ' HA ' HD22 ' A' ' 69' ' ' LEU . 95.3 t -111.43 112.59 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 40.1 mt -75.38 143.17 42.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.47 172.29 7.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -48.42 -42.84 33.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -70.4 -57.83 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.844 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.6 t-160 -37.66 -57.33 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.405 HG22 ' CZ3' ' A' ' 102' ' ' TRP . 65.7 t -45.52 -40.2 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 91' ' ' ASP . 20.6 mmt180 -53.73 -53.89 45.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 98' ' ' LYS . 71.2 m -52.73 -69.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.9 mt -38.09 -42.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -63.86 -44.71 92.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 95' ' ' SER . 13.0 ptmt -79.1 -14.07 59.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -85.8 -18.04 34.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.85 33.7 17.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -119.25 -41.92 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.523 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 60.9 t-105 -43.02 139.45 2.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.586 0.708 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.9 Cg_endo -69.78 -163.89 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -115.06 -39.23 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -58.92 -18.78 36.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -114.66 17.31 17.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 t -100.28 -31.65 11.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 76.8 mt . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.469 HG13 ' HD2' ' A' ' 21' ' ' PRO . 77.8 t -133.27 134.5 24.13 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.624 0.726 . . . . 0.0 111.1 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.498 ' HG2' HD11 ' A' ' 27' ' ' ILE . 64.2 Cg_exo -47.92 122.93 7.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.0 m -71.84 173.06 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -56.55 -48.07 78.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.449 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 20.7 mt-30 -71.78 -38.38 70.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -65.31 173.83 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -165.35 150.47 9.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.498 HD11 ' HG2' ' A' ' 21' ' ' PRO . 77.7 mt -91.44 135.15 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.781 HG21 HG21 ' A' ' 41' ' ' VAL . 17.6 m -141.49 162.39 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.45 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . 26.1 ttp180 -109.0 138.01 46.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 67' ' ' ASP . 92.5 t -71.87 150.66 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' CD1' ' HD3' ' A' ' 48' ' ' ARG . 43.8 mt -125.04 -61.83 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -150.82 177.54 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.49 HG22 ' H ' ' A' ' 35' ' ' GLY . 3.0 m -146.62 120.87 5.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.525 0.679 . . . . 0.0 111.139 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -5.94 17.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.23 . . . . 0.0 112.332 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.49 ' H ' HG22 ' A' ' 33' ' ' THR . . . 111.73 -47.14 1.07 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -56.59 -174.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -81.5 40.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 33' ' ' THR . 15.6 mt -132.54 167.7 19.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.658 ' CE1' HD13 ' A' ' 63' ' ' ILE . 61.9 m-70 -153.28 140.82 19.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -95.37 103.1 14.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.781 HG21 HG21 ' A' ' 28' ' ' VAL . 33.7 m -108.03 169.16 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -133.32 146.87 51.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.0 p -89.02 175.03 7.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.504 ' HB2' ' HB2' ' A' ' 103' ' ' PRO . . . -72.29 -20.12 61.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -91.31 24.06 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.6 62.63 5.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -136.27 105.58 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 39.0 mtt85 -85.85 142.92 28.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.422 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 24.2 p90 -167.17 173.14 9.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.28 156.86 17.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.663 HG11 HG11 ' A' ' 71' ' ' VAL . 33.6 m -136.85 151.31 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.428 ' HB2' HG11 ' A' ' 80' ' ' VAL . 0.9 OUTLIER -97.14 162.37 13.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.537 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.9 tpt -95.87 131.47 29.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.546 0.689 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.527 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 66.1 Cg_exo -48.02 160.65 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.4 t -83.17 -15.99 48.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.555 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 14.7 pttm -93.47 -15.43 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.4 m-30 -93.64 23.33 4.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -57.99 79.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 57' ' ' TYR . 36.5 mttt -166.15 -176.43 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -99.19 84.43 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.427 HD12 ' CE ' ' A' ' 53' ' ' MET . 22.7 mt -79.82 136.93 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.578 ' CZ2' ' NZ ' ' A' ' 64' ' ' LYS . 7.4 t90 -74.81 86.97 2.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.658 HD13 ' CE1' ' A' ' 39' ' ' HIS . 72.8 mt -95.99 140.54 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.578 ' NZ ' ' CZ2' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -138.02 -177.36 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -82.57 143.31 31.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.81 -41.3 2.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 30' ' ' VAL . 4.5 t0 -43.01 119.81 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.462 ' O ' HD23 ' A' ' 69' ' ' LEU . 30.9 m-85 -88.68 130.22 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.589 HD22 ' HA ' ' A' ' 87' ' ' VAL . 13.6 mt -130.39 170.0 14.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 85' ' ' SER . 70.3 mt -109.72 114.29 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.663 HG11 HG11 ' A' ' 51' ' ' VAL . 14.6 m -109.24 151.93 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.484 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 32.9 t70 -119.29 133.13 23.76 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.605 0.717 . . . . 0.0 110.842 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.449 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 54.0 Cg_endo -69.75 148.09 64.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.865 HD11 ' HG3' ' A' ' 83' ' ' GLU . 12.0 mt -119.98 154.35 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.73 171.75 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -37.2 110.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.03 -133.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.67 -174.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.947 0.403 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 19.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.428 HG11 ' HB2' ' A' ' 52' ' ' SER . 87.8 t -100.18 137.73 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.45 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 8.7 mmpt? -82.09 -48.12 11.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.484 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -151.22 174.78 12.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.865 ' HG3' HD11 ' A' ' 74' ' ' ILE . 55.4 mt-10 -129.85 139.54 51.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.537 HD12 ' SD ' ' A' ' 53' ' ' MET . 62.7 mt -46.49 157.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.062 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.547 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 40.3 m -129.62 -41.06 1.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 85' ' ' SER . 89.4 m-85 -163.05 166.13 23.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.589 ' HA ' HD22 ' A' ' 69' ' ' LEU . 69.6 t -106.81 108.46 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.2 mt -74.7 133.25 42.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.426 ' O ' HG23 ' A' ' 93' ' ' VAL . 82.2 m -103.68 170.12 8.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -44.08 -44.45 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.47 -61.6 1.91 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 93' ' ' VAL . 3.2 t-160 -38.55 -58.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.447 HG13 ' CH2' ' A' ' 102' ' ' TRP . 99.4 t -36.48 -53.37 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -54.67 -58.14 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.6 m -40.57 -60.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.8 mt -53.11 -41.01 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -63.29 -44.15 95.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -67.92 -37.02 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -67.87 -28.56 67.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.67 39.0 4.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 102' ' ' TRP . 75.1 m-85 -119.7 -48.13 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.522 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 61.2 t-105 -36.86 139.47 0.47 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.543 0.687 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.8 148.06 63.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.226 . . . . 0.0 112.35 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -70.44 -45.27 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -48.48 -28.9 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.452 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 7.1 m-30 -104.83 -27.79 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.0 t -48.31 -29.25 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.934 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 94.3 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.873 0.368 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.4 t -130.09 131.17 23.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.426 ' HG3' ' CD1' ' A' ' 70' ' ' ILE . 65.4 Cg_exo -47.95 119.33 3.78 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -63.02 162.72 10.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -49.52 -40.47 37.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -79.17 -37.86 37.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.598 HE21 HG21 ' A' ' 70' ' ' ILE . 16.1 mt-30 -61.74 165.39 5.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -158.34 145.79 18.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.972 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.9 mt -87.23 134.99 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.99 HG21 HG21 ' A' ' 41' ' ' VAL . 19.2 m -139.8 176.85 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -123.67 133.18 53.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.783 ' HA ' HG12 ' A' ' 41' ' ' VAL . 76.6 t -66.86 155.82 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.474 ' N ' HG12 ' A' ' 30' ' ' VAL . 16.2 mt -130.68 -54.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.6 ttp85 -162.66 145.54 10.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.524 HG22 ' H ' ' A' ' 35' ' ' GLY . 4.6 m -119.81 120.67 30.29 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.545 0.688 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -1.69 8.89 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.524 ' H ' HG22 ' A' ' 33' ' ' THR . . . 104.83 -46.76 1.14 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.533 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -54.7 -174.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -81.08 40.7 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 33' ' ' THR . 32.6 mt -133.5 162.78 30.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.452 ' O ' HG22 ' A' ' 51' ' ' VAL . 58.5 m-70 -149.63 138.48 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HG2' HD12 ' A' ' 31' ' ' LEU . 30.1 tt0 -98.26 114.7 27.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.99 HG21 HG21 ' A' ' 28' ' ' VAL . 19.4 m -126.06 174.29 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -134.82 150.67 50.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 p -93.29 -179.38 5.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.66 -23.9 62.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.141 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -90.12 23.99 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.29 62.04 6.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -131.46 105.07 7.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.467 ' HD3' HD13 ' A' ' 31' ' ' LEU . 32.0 mtt180 -83.36 145.82 28.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -169.26 175.82 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.5 mt -107.26 156.0 19.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.715 HG11 HG11 ' A' ' 71' ' ' VAL . 35.8 m -137.82 146.53 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 t -94.92 159.89 14.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.743 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.1 tpt -96.94 130.79 29.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 Cg_exo -47.99 163.51 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.5 p -83.32 -21.25 33.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.59 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 12.8 pttt -84.75 -25.22 28.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.59 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 15.6 m-30 -89.66 37.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -69.15 75.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -159.66 -175.0 4.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.98 79.38 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.442 HD12 ' CE ' ' A' ' 53' ' ' MET . 24.1 mt -69.89 141.54 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.455 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 21.4 t90 -79.14 87.24 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.954 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.421 HG13 HG22 ' A' ' 61' ' ' ILE . 50.4 mt -110.72 111.73 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.455 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 5.3 mtmp? -114.61 -178.87 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.3 tpt85 -68.16 146.68 53.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.49 -34.64 2.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.555 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.555 ' O ' HG23 ' A' ' 30' ' ' VAL . 25.4 m-20 -50.02 120.2 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.636 ' O ' HD23 ' A' ' 69' ' ' LEU . 13.9 m-85 -88.35 138.08 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 68' ' ' PHE . 18.2 mt -141.0 163.98 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.598 HG21 HE21 ' A' ' 25' ' ' GLN . 66.9 mt -104.65 125.85 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.715 HG11 HG11 ' A' ' 51' ' ' VAL . 16.1 m -119.43 156.44 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.493 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -123.78 133.76 24.85 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.57 0.7 . . . . 0.0 110.89 179.861 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 148.9 65.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.621 2.214 . . . . 0.0 112.349 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.94 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.1 mt -118.19 155.06 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -76.26 179.83 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -41.91 98.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.44 -121.25 1.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -74.95 -174.96 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 20.32 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.2 t -100.17 140.15 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.461 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 6.4 mmpt? -79.66 -51.54 9.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.493 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -147.44 179.06 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.12 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.94 ' HG3' HD11 ' A' ' 74' ' ' ILE . 27.2 mt-10 -135.21 139.15 44.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.743 HD12 ' SD ' ' A' ' 53' ' ' MET . 67.2 mt -50.21 151.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ILE . 14.1 m -124.85 -43.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -153.33 161.51 42.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.63 ' HA ' HD22 ' A' ' 69' ' ' LEU . 96.6 t -105.93 107.04 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.93 157.51 38.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . 0.581 ' O ' HG23 ' A' ' 93' ' ' VAL . 99.2 m -137.71 176.56 8.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -49.02 -43.44 40.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 92' ' ' HIS . 40.9 m-20 -68.28 -64.21 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t-160 -36.72 -58.37 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 89' ' ' CYS . 70.7 t -42.4 -40.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 91' ' ' ASP . 8.6 mmm180 -59.56 -49.27 78.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.4 t -55.86 -64.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 71.6 mt -45.18 -43.34 9.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -58.86 -51.9 68.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -61.89 -45.84 91.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -59.33 -26.81 65.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.24 41.87 4.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -120.25 -42.04 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.533 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 54.0 t-105 -42.64 139.42 2.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.5 Cg_endo -69.77 -178.84 2.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -101.75 -46.37 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.56 -34.8 38.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -102.69 24.44 10.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -103.73 -34.27 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.3 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.874 0.368 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t -129.06 130.84 23.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 0.0 111.128 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HD3' HD21 ' A' ' 96' ' ' LEU . 65.0 Cg_exo -47.95 125.62 11.81 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m -76.03 174.65 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.443 ' ND2' ' H ' ' A' ' 23' ' ' ASN . 5.3 m-80 -55.84 -46.69 78.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.437 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 9.7 mt-30 -75.17 -43.99 49.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.46 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 55.1 mt-30 -64.26 148.35 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -143.87 152.33 41.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.7 mt -87.3 139.04 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.091 HG21 HG21 ' A' ' 41' ' ' VAL . 35.0 m -147.12 155.58 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.48 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 17.5 ttt180 -105.35 125.77 51.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.793 ' HA ' HG12 ' A' ' 41' ' ' VAL . 20.9 t -62.87 147.71 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.7 mt -118.72 -61.27 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -150.38 168.52 23.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.641 HG22 ' H ' ' A' ' 35' ' ' GLY . 15.4 m -137.49 119.93 11.24 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -9.63 26.58 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.641 ' H ' HG22 ' A' ' 33' ' ' THR . . . 109.42 -41.98 2.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -57.06 -174.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -81.2 40.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 52' ' ' SER . 86.0 mt -135.94 163.08 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.537 ' O ' HG22 ' A' ' 51' ' ' VAL . 36.9 m-70 -145.48 134.64 22.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -94.84 116.38 28.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 1.091 HG21 HG21 ' A' ' 28' ' ' VAL . 23.5 m -125.7 171.41 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -128.78 148.04 50.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 p -95.19 173.75 7.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.171 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.26 -24.77 66.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -88.89 24.96 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.12 55.51 28.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -124.58 109.22 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -88.34 135.64 33.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -160.99 179.93 8.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 mt -112.35 157.8 20.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.97 HG11 HG11 ' A' ' 71' ' ' VAL . 30.3 m -130.94 148.57 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.522 ' HA ' HD23 ' A' ' 38' ' ' LEU . 1.1 t -93.43 159.79 15.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.636 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.6 tpt -101.04 121.57 51.71 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.555 0.693 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.2 Cg_exo -47.96 144.63 11.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.9 m -67.48 -28.64 68.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.539 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 3.7 pttm -78.1 -18.2 55.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.539 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.5 m-30 -93.35 33.06 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 80.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -174.98 135.17 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -57.38 90.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.48 150.8 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.49 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 24.5 t90 -78.36 94.79 4.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 63.7 mt -123.31 105.48 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.49 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 7.1 mtmp? -109.22 -179.54 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -78.77 146.89 33.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.48 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 87.13 -18.61 35.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.443 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.735 ' O ' HG23 ' A' ' 30' ' ' VAL . 4.8 m-20 -74.74 131.9 41.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.914 ' O ' HD23 ' A' ' 69' ' ' LEU . 49.2 m-85 -88.35 146.35 25.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.914 HD23 ' O ' ' A' ' 68' ' ' PHE . 10.4 mt -148.24 163.96 35.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 25' ' ' GLN . 90.9 mt -107.4 111.12 34.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.97 HG11 HG11 ' A' ' 51' ' ' VAL . 32.6 m -96.66 160.13 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.494 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 1.5 p30 -121.13 116.48 31.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.718 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.437 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 53.4 Cg_endo -69.84 138.96 38.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.741 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.5 mt -117.97 164.57 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.473 ' N ' HG22 ' A' ' 74' ' ' ILE . 1.8 pm0 -71.15 -177.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -52.99 107.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.06 -122.93 1.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -66.39 -174.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -79.6 13.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.0 t -100.42 141.97 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -87.15 -40.15 14.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.494 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -152.38 176.16 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.741 ' HG3' HD11 ' A' ' 74' ' ' ILE . 45.7 mt-10 -129.62 141.18 50.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.636 HD12 ' SD ' ' A' ' 53' ' ' MET . 89.3 mt -53.77 135.18 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.7 m -107.21 -50.42 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -152.65 170.7 19.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.427 ' HA ' HD22 ' A' ' 69' ' ' LEU . 95.0 t -109.61 108.0 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 66.5 mt -66.68 143.24 57.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.7 t -110.88 171.39 7.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -50.32 -47.13 55.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -66.78 -49.29 66.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -45.06 -54.01 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.531 HG13 ' CH2' ' A' ' 102' ' ' TRP . 89.5 t -51.76 -27.4 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -75.81 -44.92 38.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' LEU . 74.5 m -58.47 -66.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.432 HD21 ' HD3' ' A' ' 21' ' ' PRO . 46.3 mt -36.97 -47.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -49.53 -55.86 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.446 ' N ' ' HE3' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -48.84 -59.46 3.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -58.97 -21.26 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 88.26 34.47 9.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -103.63 -14.52 16.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TRP . . . . . 0.531 ' CH2' HG13 ' A' ' 93' ' ' VAL . 61.9 t-105 -76.81 136.84 66.59 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.75 158.8 55.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -77.16 -44.34 30.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -49.94 -31.87 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PHE . . . . . 0.475 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 8.0 m-30 -101.19 -15.56 17.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.0 t -60.41 -26.45 66.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 m -165.82 170.05 14.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.89 0.376 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -95.74 155.56 16.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.06 101.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.9 m -81.24 151.39 28.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.89 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.1 m -84.76 138.01 32.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -162.78 48.02 0.33 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -71.58 -41.33 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.77 ' O ' HG23 ' A' ' 20' ' ' VAL . 48.1 t-80 -127.29 171.45 11.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.7 mt -49.4 102.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 18' ' ' HIS . 97.7 t -121.97 139.74 30.88 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 0.0 111.126 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.63 ' HD2' HG13 ' A' ' 20' ' ' VAL . 65.2 Cg_exo -47.95 122.67 7.53 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.734 2.289 . . . . 0.0 112.312 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.4 t -68.28 -176.42 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -65.34 -44.52 87.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -83.4 -36.18 24.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -60.72 159.92 10.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -154.68 152.35 29.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.528 ' CD1' HD13 ' A' ' 96' ' ' LEU . 85.7 mt -95.32 129.45 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.996 HG21 HG21 ' A' ' 41' ' ' VAL . 34.5 m -133.26 176.52 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.436 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 15.5 ttp180 -122.96 133.76 54.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 67' ' ' ASP . 89.8 t -70.75 152.27 8.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.499 HD23 ' O ' ' A' ' 30' ' ' VAL . 11.9 mt -126.54 -50.32 1.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 32' ' ' ARG . 7.5 ttm105 -165.88 159.54 16.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.631 HG22 ' H ' ' A' ' 35' ' ' GLY . 7.3 m -131.5 123.05 19.19 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 111.131 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -8.25 23.13 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.702 2.268 . . . . 0.0 112.312 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.631 ' H ' HG22 ' A' ' 33' ' ' THR . . . 112.77 -46.3 1.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -52.17 -174.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -81.7 40.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.717 HD23 ' HA ' ' A' ' 52' ' ' SER . 41.4 mt -137.67 164.83 27.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.646 ' O ' HG22 ' A' ' 51' ' ' VAL . 33.4 m-70 -150.19 140.7 22.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.859 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -93.8 125.96 38.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.996 HG21 HG21 ' A' ' 28' ' ' VAL . 14.1 m -129.98 176.22 9.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -138.26 142.05 39.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.3 p -86.89 173.91 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.605 ' O ' ' HB2' ' A' ' 105' ' ' ALA . . . -69.35 -21.21 63.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.124 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -91.21 24.88 2.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.66 63.86 4.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.527 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -134.69 107.92 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -84.42 140.06 31.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.597 ' CZ ' ' CG2' ' A' ' 41' ' ' VAL . 34.0 p90 -163.7 178.84 7.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -113.0 156.13 23.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.701 HG11 HG11 ' A' ' 71' ' ' VAL . 27.1 m -133.18 155.42 40.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.717 ' HA ' HD23 ' A' ' 38' ' ' LEU . 1.3 t -101.11 160.58 14.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.8 tpt -95.96 130.14 32.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.704 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.6 Cg_exo -47.97 139.35 20.23 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 84.1 p -68.83 -10.16 55.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.584 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 10.0 pttt -93.48 -26.15 17.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.584 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 13.2 m-30 -87.2 29.5 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -58.4 79.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 57' ' ' TYR . 16.8 pttm -170.85 179.06 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -90.35 86.83 6.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.5 mt -81.44 146.83 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 10.1 t-105 -78.51 104.48 9.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.7 mt -124.95 136.47 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 mmpt? -130.46 178.59 6.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -80.48 141.01 35.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.55 -26.28 8.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.517 ' O ' HG23 ' A' ' 30' ' ' VAL . 14.0 t0 -50.07 126.53 14.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.436 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 50.5 m-85 -88.32 124.57 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 87' ' ' VAL . 14.1 mt -129.52 163.86 25.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 85' ' ' SER . 77.3 mt -104.52 111.83 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.701 HG11 HG11 ' A' ' 51' ' ' VAL . 11.7 m -108.67 154.22 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.614 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 27.6 t70 -124.16 135.28 26.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.544 0.688 . . . . 0.0 110.895 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 147.24 62.46 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.956 HD11 ' HG3' ' A' ' 83' ' ' GLU . 8.6 mt -116.68 157.01 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.9 pm0 -64.46 -177.23 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -57.79 91.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -133.16 -119.8 2.05 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -70.99 -174.83 1.01 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.918 0.39 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -83.12 20.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.453 HG11 ' HB2' ' A' ' 52' ' ' SER . 59.1 t -100.27 140.98 18.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.476 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 10.7 mmpt? -78.5 -58.29 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.614 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -143.91 179.22 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.956 ' HG3' HD11 ' A' ' 74' ' ' ILE . 7.0 mt-10 -129.72 140.55 51.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mt -53.12 143.44 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 70' ' ' ILE . 50.2 m -113.46 -46.35 3.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -156.58 166.07 34.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.513 ' HA ' HD22 ' A' ' 69' ' ' LEU . 87.8 t -106.99 107.89 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.087 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 15.8 mt -70.25 138.85 51.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 90' ' ' LYS . 91.2 m -109.98 160.72 16.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' O ' ' CD ' ' A' ' 94' ' ' ARG . 33.7 ttpt -36.84 -39.32 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.44 -62.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -38.63 -63.66 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.84 HG13 ' CZ3' ' A' ' 102' ' ' TRP . 98.2 t -37.21 -56.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.41 ' CD ' ' O ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -54.22 -45.77 72.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.7 m -53.03 -57.3 10.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.528 HD13 ' CD1' ' A' ' 27' ' ' ILE . 71.0 mt -52.2 -38.5 58.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -61.03 -42.5 98.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -71.18 -45.85 62.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.47 -23.1 65.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.68 51.5 2.86 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -130.58 -40.75 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.878 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.84 ' CZ3' HG13 ' A' ' 93' ' ' VAL . 61.2 t-105 -44.41 139.48 3.38 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.551 0.691 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.521 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.9 Cg_endo -69.74 162.86 40.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.664 2.243 . . . . 0.0 112.332 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -85.33 -44.67 12.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 44' ' ' ALA . . . -48.36 -26.96 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 109' ' ' VAL . 7.2 m-30 -103.08 -33.12 9.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.7 t -41.11 -34.34 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -84.49 32.84 0.51 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 106' ' ' PHE . 52.0 t -120.89 -52.23 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.41 89.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -49.62 -46.9 49.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -77.35 -50.71 12.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -48.98 143.52 5.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.436 ' C ' ' OD1' ' A' ' 114' ' ' ASN . 24.6 p30 -154.62 157.76 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.8 m -99.64 127.63 45.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.66 -158.2 20.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 129.26 17.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.7 m -76.91 110.19 11.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.9 t -53.1 -59.52 4.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.5 m -65.71 172.08 3.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.0 t -66.88 129.82 41.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -45.12 -64.69 2.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.3 p -148.38 176.23 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.86 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.4 p -137.8 140.3 40.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.66 59.19 2.52 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -154.62 136.6 14.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.727 ' O ' HG23 ' A' ' 20' ' ' VAL . 53.9 t-80 -107.29 169.26 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 72.3 mt -43.74 130.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 18' ' ' HIS . 91.8 t -139.74 136.46 17.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.605 0.716 . . . . 0.0 111.128 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.65 ' CG ' HD11 ' A' ' 27' ' ' ILE . 64.9 Cg_exo -47.96 121.79 6.38 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.7 m -73.68 176.6 6.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -57.45 -53.07 62.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.431 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 8.5 pt20 -75.08 -37.67 61.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.966 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 11.5 mt-30 -69.42 142.07 53.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -133.99 157.86 44.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.65 HD11 ' CG ' ' A' ' 21' ' ' PRO . 83.4 mt -96.13 122.49 47.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.884 HG21 HG21 ' A' ' 41' ' ' VAL . 17.0 m -127.35 178.72 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.484 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . 26.5 ttp180 -124.34 132.64 53.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 67' ' ' ASP . 46.2 t -65.08 152.03 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.68 HD12 ' HG2' ' A' ' 40' ' ' GLU . 33.8 mt -127.55 -60.9 1.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -161.28 130.73 4.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.775 HG22 ' H ' ' A' ' 35' ' ' GLY . 32.0 m -103.1 121.45 48.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.56 0.695 . . . . 0.0 111.161 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -0.3 6.7 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.372 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.775 ' H ' HG22 ' A' ' 33' ' ' THR . . . 101.01 -46.01 1.35 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -51.83 -174.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.5 p-10 -81.29 40.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.664 HD23 ' HA ' ' A' ' 52' ' ' SER . 40.3 mt -137.29 168.06 20.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.633 ' CE1' HD12 ' A' ' 63' ' ' ILE . 43.3 m-70 -150.84 134.46 16.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.68 ' HG2' HD12 ' A' ' 31' ' ' LEU . 31.4 tt0 -92.61 113.24 25.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.884 HG21 HG21 ' A' ' 28' ' ' VAL . 33.8 m -120.35 173.08 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HB3' HD11 ' A' ' 31' ' ' LEU . 6.9 pt-20 -137.05 147.54 46.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.9 p -90.08 -179.5 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.516 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . . . -74.58 -23.56 58.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -88.7 24.04 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.87 62.88 5.8 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -133.99 104.05 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.446 ' HD3' HD13 ' A' ' 31' ' ' LEU . 47.5 mtt180 -81.99 144.42 30.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.692 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 32.6 p90 -165.5 179.46 6.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -117.84 156.82 27.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.743 HG11 HG11 ' A' ' 71' ' ' VAL . 33.1 m -136.89 158.2 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.664 ' HA ' HD23 ' A' ' 38' ' ' LEU . 5.5 t -99.56 162.23 13.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.772 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.3 tpt -99.97 130.85 25.42 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.561 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.2 Cg_exo -47.94 158.35 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 t -77.01 -28.1 54.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 18.1 pttt -81.87 -21.85 37.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 10.9 m-30 -86.61 32.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -66.32 79.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -175.12 149.49 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -66.9 88.07 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.3 mt -77.03 150.7 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.498 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 25.9 t90 -78.83 88.77 4.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.633 HD12 ' CE1' ' A' ' 39' ' ' HIS . 65.0 mt -117.62 110.34 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 28.2 mtmt -114.07 169.99 8.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -68.3 146.68 53.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 90.58 -38.02 3.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.737 ' O ' HG23 ' A' ' 30' ' ' VAL . 5.9 m-20 -56.12 131.54 47.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.782 ' O ' HD23 ' A' ' 69' ' ' LEU . 60.8 m-85 -90.54 139.78 30.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 68' ' ' PHE . 13.4 mt -139.87 168.61 19.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 25' ' ' GLN . 96.2 mt -111.54 111.6 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.743 HG11 HG11 ' A' ' 51' ' ' VAL . 28.9 m -102.88 157.66 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.617 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -119.71 128.63 25.79 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.431 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 54.3 Cg_endo -69.73 143.75 51.96 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.956 HD11 ' CG ' ' A' ' 83' ' ' GLU . 9.5 mt -117.1 154.57 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -75.28 178.41 5.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.89 111.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -161.89 -128.16 0.93 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.77 -174.75 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.371 . . . . 0.0 110.905 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -83.37 21.29 1.18 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.442 ' C ' ' HE2' ' A' ' 81' ' ' LYS . 43.1 t -100.24 136.66 30.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.476 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 9.9 mmpt? -76.04 -56.76 4.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.617 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -143.44 -176.82 5.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.064 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.956 ' CG ' HD11 ' A' ' 74' ' ' ILE . 16.3 mt-10 -133.24 137.08 45.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.772 HD12 ' SD ' ' A' ' 53' ' ' MET . 61.1 mt -52.33 142.78 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 67.5 m -116.37 -45.52 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -154.74 168.71 25.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.551 ' HA ' HD22 ' A' ' 69' ' ' LEU . 92.3 t -110.67 123.36 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.147 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 18.7 mt -87.87 159.72 18.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.419 ' O ' HG23 ' A' ' 93' ' ' VAL . 15.4 m -134.43 176.6 8.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.0 mtmm -51.66 -42.13 61.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 94' ' ' ARG . 55.8 m-20 -70.28 -61.6 1.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.2 t-160 -37.45 -54.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.711 HG22 ' CZ3' ' A' ' 102' ' ' TRP . 77.6 t -47.12 -41.28 5.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 91' ' ' ASP . 33.8 mmm-85 -54.0 -56.22 19.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.6 m -51.33 -67.66 0.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 35.7 mt -45.32 -44.13 11.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -60.06 -32.64 71.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 39.8 mttp -77.29 -39.34 48.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -67.72 -24.95 65.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.5 31.67 7.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -107.74 -41.75 4.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.711 ' CZ3' HG22 ' A' ' 93' ' ' VAL . 61.3 t-105 -45.21 139.46 4.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.538 0.685 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.581 ' HG2' ' CD2' ' A' ' 106' ' ' PHE . 53.7 Cg_endo -69.79 155.61 65.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 106' ' ' PHE . 35.5 tt0 -73.45 -57.9 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.516 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -38.76 -28.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.581 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 3.4 m-30 -101.51 -30.56 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.824 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 104' ' ' GLU . 7.2 t -48.65 -28.14 3.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.809 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -90.24 28.35 1.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 50.5 t -121.82 -42.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -77.16 -60.81 2.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 110' ' ' ALA . 13.7 tt0 -34.56 -49.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -53.9 -57.45 10.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -39.86 144.13 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.82 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -102.23 -42.83 5.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.2 m -46.08 140.38 3.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -148.49 -78.48 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -6.03 17.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.6 p -137.22 171.31 14.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 t -82.85 -53.11 6.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.9 m -167.95 147.02 4.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.827 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -111.79 93.57 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -169.7 57.19 0.2 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -79.99 154.91 27.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -59.96 114.28 2.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.42 -68.05 1.48 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -126.62 158.68 35.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.836 ' O ' HG23 ' A' ' 20' ' ' VAL . 46.7 t-80 -174.94 171.35 3.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 68.7 mt -41.64 127.16 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 18' ' ' HIS . 79.3 t -138.3 135.93 18.8 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.152 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.492 ' HG2' HD11 ' A' ' 27' ' ' ILE . 64.9 Cg_exo -47.93 132.81 22.59 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.716 2.277 . . . . 0.0 112.356 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.438 ' CB ' ' OE1' ' A' ' 25' ' ' GLN . 14.2 t -79.28 174.63 11.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -59.6 -45.59 91.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -77.04 -44.49 30.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.438 ' OE1' ' CB ' ' A' ' 22' ' ' SER . 15.1 mt-30 -57.21 169.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -161.28 148.44 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.492 HD11 ' HG2' ' A' ' 21' ' ' PRO . 66.6 mt -90.22 131.17 38.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' ' 43' ' ' THR . 8.8 m -136.32 176.76 7.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -124.0 130.98 53.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.592 ' HA ' HG12 ' A' ' 41' ' ' VAL . 53.2 t -66.92 146.62 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.499 HD11 ' HB3' ' A' ' 42' ' ' GLU . 25.5 mt -117.94 -49.92 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.0 ttm-85 -167.21 156.98 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 38' ' ' LEU . 2.4 m -127.4 119.17 21.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 0.0 111.165 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 0.37 5.76 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.657 2.238 . . . . 0.0 112.356 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.47 -49.36 0.9 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -53.49 -174.61 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -81.18 40.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.572 ' O ' HG23 ' A' ' 33' ' ' THR . 49.8 mt -132.99 163.56 28.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.665 ' O ' HG22 ' A' ' 51' ' ' VAL . 42.4 m-70 -151.81 122.91 7.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -79.84 104.76 10.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.762 HG23 ' CZ ' ' A' ' 49' ' ' PHE . 18.1 m -109.71 172.92 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' A' ' 31' ' ' LEU . 13.8 pt-20 -135.35 149.63 49.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.488 ' HA ' HG12 ' A' ' 28' ' ' VAL . 24.5 p -92.27 -178.25 4.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.59 -27.21 60.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -87.98 26.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.9 67.86 1.99 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -136.3 110.53 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 110.914 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -83.61 141.07 31.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.762 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 24.7 p90 -164.51 167.95 18.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 mt -105.86 148.85 27.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 39' ' ' HIS . 27.5 m -130.02 155.81 41.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -101.07 159.9 14.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.747 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.6 tpt -97.5 129.26 32.14 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.575 0.702 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.56 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.2 Cg_exo -47.96 160.09 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 m -74.04 -47.58 35.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.549 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 2.0 pttm -60.64 -26.02 66.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 13.0 m-30 -87.98 32.96 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 58' ' ' ARG . 10.2 ttp-105 -66.59 77.5 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' HB3' ' NZ ' ' A' ' 59' ' ' LYS . 6.2 mtpm? -162.46 -177.78 5.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -100.07 78.01 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.469 HD12 ' CE ' ' A' ' 53' ' ' MET . 21.9 mt -69.54 139.13 20.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.437 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 23.4 t90 -76.02 86.99 2.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.419 HG13 HG22 ' A' ' 61' ' ' ILE . 51.4 mt -110.51 111.82 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.095 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.437 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 5.2 mtmp? -112.07 178.55 4.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 1.9 tmt_? -71.36 138.0 48.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 99.09 -28.04 17.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.456 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.523 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.7 t0 -61.39 122.99 16.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.636 ' O ' HD23 ' A' ' 69' ' ' LEU . 14.8 m-85 -88.71 132.88 34.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 68' ' ' PHE . 10.9 mt -137.58 159.36 42.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 85' ' ' SER . 81.4 mt -100.56 115.44 41.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 84' ' ' ILE . 5.4 m -111.67 157.59 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.078 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.436 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 23.5 t0 -127.43 134.24 25.95 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.658 0.742 . . . . 0.0 110.861 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 150.73 68.64 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.868 HD11 ' HG3' ' A' ' 83' ' ' GLU . 9.8 mt -119.76 155.8 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.145 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -74.97 -177.97 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -39.02 116.0 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.54 -139.93 2.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.08 -174.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -83.91 23.42 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 70.9 t -99.92 140.83 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.458 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 6.0 mmpt? -83.06 -54.62 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.436 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -145.22 -177.7 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.868 ' HG3' HD11 ' A' ' 74' ' ' ILE . 52.3 mt-10 -138.92 141.28 38.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.747 HD12 ' SD ' ' A' ' 53' ' ' MET . 40.2 mt -51.95 153.48 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.423 ' N ' HG22 ' A' ' 84' ' ' ILE . 68.5 m -125.15 -43.27 1.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -157.07 154.89 30.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.601 ' HA ' HD22 ' A' ' 69' ' ' LEU . 90.0 t -97.47 103.92 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.6 140.38 56.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 90' ' ' LYS . 27.4 p -120.74 168.12 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 89' ' ' CYS . 42.5 mtmt -36.61 -65.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 92' ' ' HIS . 1.2 m-20 -50.05 -63.11 1.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 93' ' ' VAL . 2.3 t-160 -36.76 -66.14 0.24 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 92' ' ' HIS . 88.5 t -34.61 -60.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.99 -46.13 16.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.3 m -54.1 -65.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 65.2 mt -46.99 -40.99 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -59.88 -47.07 87.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 41.2 mtmt -66.03 -42.4 89.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -62.5 -25.11 67.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.58 42.53 4.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -122.25 -39.92 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.832 0.349 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.525 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 56.7 t-105 -43.29 139.26 2.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.563 0.697 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.9 Cg_endo -69.75 170.37 16.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.673 2.249 . . . . 0.0 112.352 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.49 -37.3 12.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -56.28 -40.37 74.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -100.01 26.31 6.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -101.01 -40.76 7.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -84.7 26.66 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.5 m -116.63 -27.98 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.173 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -95.52 41.0 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -97.92 -66.42 0.9 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.85 46.15 0.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.3 t60 -88.47 -41.11 12.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -153.48 159.55 42.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.2 t -40.68 139.45 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 159.85 86.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.523 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 131.94 22.28 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.728 2.285 . . . . 0.0 112.314 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.4 t -104.85 166.11 10.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.9 t -81.37 158.31 24.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.2 p -174.32 130.12 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.8 p -112.87 166.43 11.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 99.86 -86.69 0.69 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -111.19 103.1 11.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.372 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -170.15 168.35 8.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.43 44.69 0.55 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -83.56 70.09 10.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -158.58 171.76 19.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 86.8 mt -49.74 123.3 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t -130.27 130.41 23.03 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.737 . . . . 0.0 111.152 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.421 ' HD3' HD21 ' A' ' 96' ' ' LEU . 64.7 Cg_exo -47.99 119.77 4.2 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.233 . . . . 0.0 112.397 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -66.04 178.79 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.797 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 m-20 -62.33 -47.49 84.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -78.89 -31.21 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -68.54 146.54 53.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -139.44 154.44 47.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.409 HD11 HD13 ' A' ' 96' ' ' LEU . 68.6 mt -92.64 127.73 44.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.402 HG21 HG21 ' A' ' 41' ' ' VAL . 15.6 m -133.15 177.89 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.427 ' NH2' ' NH2' ' A' ' 65' ' ' ARG . 28.3 ttt180 -124.21 137.79 54.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 67' ' ' ASP . 12.8 t -75.11 152.99 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 mt -125.75 -55.28 1.51 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.9 mtm-85 -154.93 177.96 10.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.498 HG22 ' H ' ' A' ' 35' ' ' GLY . 4.0 m -149.98 118.38 3.68 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.578 0.704 . . . . 0.0 111.128 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -7.89 22.2 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.254 . . . . 0.0 112.329 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.498 ' H ' HG22 ' A' ' 33' ' ' THR . . . 109.37 -39.73 2.8 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -60.49 -174.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' O ' HD23 ' A' ' 38' ' ' LEU . 14.4 p30 -80.89 40.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 46.2 mt -136.12 161.82 34.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.667 ' CE1' HD12 ' A' ' 63' ' ' ILE . 38.7 m-70 -149.99 129.76 13.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.445 ' OE2' ' C ' ' A' ' 49' ' ' PHE . 3.3 tp10 -85.07 115.69 23.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 30' ' ' VAL . 21.2 m -120.98 172.55 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.15 151.96 51.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.2 p -98.55 173.04 7.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.124 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.83 -26.04 68.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.045 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -90.89 24.57 2.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.63 44.48 96.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -110.4 103.3 11.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.797 0.332 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -85.27 144.13 28.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.593 ' CE1' HG23 ' A' ' 41' ' ' VAL . 12.9 p90 -166.62 -176.51 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.438 HD21 ' OE1' ' A' ' 40' ' ' GLU . 19.4 mt -114.35 152.46 31.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.698 HG11 HG11 ' A' ' 71' ' ' VAL . 17.4 m -132.29 144.1 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -93.98 158.57 15.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.798 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.8 tpt -95.96 132.42 27.07 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.573 0.702 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.548 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.4 Cg_exo -47.95 167.56 0.1 OUTLIER 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.8 p -83.78 -34.35 24.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.565 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.1 pttm -76.07 -16.5 59.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.8 m-30 -94.19 23.76 4.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.34 79.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 57' ' ' TYR . 15.9 tptt -175.07 134.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -56.13 92.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.5 mt -81.55 146.38 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -75.46 102.2 5.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.667 HD12 ' CE1' ' A' ' 39' ' ' HIS . 39.3 mt -122.62 138.09 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' CE ' ' O ' ' A' ' 63' ' ' ILE . 9.2 mmpt? -132.74 164.44 26.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.427 ' NH2' ' NH2' ' A' ' 29' ' ' ARG . 1.9 tmt_? -66.75 151.81 46.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.53 -31.73 3.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.707 ' O ' HG23 ' A' ' 30' ' ' VAL . 6.0 t0 -55.81 125.72 22.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.542 ' CE1' ' HB3' ' A' ' 106' ' ' PHE . 66.6 m-85 -88.66 123.48 33.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.623 HD22 ' HA ' ' A' ' 87' ' ' VAL . 13.8 mt -129.0 160.34 33.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.5 mt -99.19 122.77 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.698 HG11 HG11 ' A' ' 51' ' ' VAL . 33.0 m -115.68 152.38 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.473 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 9.5 t0 -119.74 129.16 25.5 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.645 0.736 . . . . 0.0 110.824 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.15 67.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.706 2.271 . . . . 0.0 112.301 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.94 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.8 mt -121.7 152.58 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.16 -178.55 1.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -40.24 118.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -169.07 -135.25 1.86 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -62.83 -174.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -83.11 22.24 0.99 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.02 145.37 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -88.24 -54.51 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.473 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -143.8 179.03 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.067 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.94 ' HG3' HD11 ' A' ' 74' ' ' ILE . 50.9 mt-10 -134.18 137.39 44.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.798 HD12 ' SD ' ' A' ' 53' ' ' MET . 50.6 mt -51.12 139.7 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.456 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 37.2 m -114.09 -42.1 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.456 ' CG ' ' O ' ' A' ' 85' ' ' SER . 91.3 m-85 -160.16 161.23 33.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.623 ' HA ' HD22 ' A' ' 69' ' ' LEU . 46.8 t -103.31 118.44 50.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 23.2 mt -76.57 144.07 39.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 90' ' ' LYS . 5.5 t -118.43 160.25 22.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 89' ' ' CYS . 0.1 OUTLIER -35.17 -46.8 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 94' ' ' ARG . 1.1 t0 -68.55 -57.64 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.414 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.3 t-160 -37.43 -55.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.438 HG22 ' CZ3' ' A' ' 102' ' ' TRP . 77.2 t -49.74 -40.27 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 91' ' ' ASP . 20.6 mmt180 -53.97 -50.13 67.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 98' ' ' LYS . 51.0 m -59.29 -68.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.421 HD21 ' HD3' ' A' ' 21' ' ' PRO . 78.8 mt -38.28 -39.21 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -64.83 -43.17 93.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 95' ' ' SER . 2.0 mtpm? -72.41 -38.25 68.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.8 -25.42 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.75 37.09 6.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.497 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -115.98 -35.86 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.527 ' CD2' ' HD2' ' A' ' 103' ' ' PRO . 59.3 t-105 -49.56 139.35 15.38 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.524 0.678 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.527 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.4 Cg_endo -69.84 -165.09 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.661 2.241 . . . . 0.0 112.341 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -113.75 -42.54 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.13 -26.59 60.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.542 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 6.1 m-85 -106.49 15.88 25.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t -98.99 -30.21 12.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -90.48 15.02 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.52 HG21 ' HZ ' ' A' ' 68' ' ' PHE . 34.3 m -111.38 -5.01 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -109.52 43.98 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -80.52 -64.5 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -99.38 44.75 1.01 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -95.95 104.6 16.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 38.3 t30 64.65 43.37 4.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.5 t -101.19 140.67 35.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -176.32 -178.22 45.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.437 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 120.97 7.67 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.2 m -132.78 165.15 25.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 85.1 p -48.95 173.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.835 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.507 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.7 p -127.02 160.14 32.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.9 t -124.26 147.41 48.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.899 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.95 88.15 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.3 p -77.35 100.92 6.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.829 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 97.9 p 37.79 42.46 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -127.31 50.22 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -101.17 83.89 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.594 ' O ' HG23 ' A' ' 20' ' ' VAL . 42.4 t-80 -116.72 172.06 7.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.509 ' HB ' ' CE1' ' A' ' 92' ' ' HIS . 90.9 mt -49.04 133.31 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 18' ' ' HIS . 94.9 t -140.45 131.91 14.13 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.602 0.715 . . . . 0.0 111.138 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.443 ' HG2' HD11 ' A' ' 27' ' ' ILE . 64.9 Cg_exo -47.97 123.75 9.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.9 p -63.31 -177.91 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -61.41 -51.19 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -73.69 -40.56 63.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.478 HE21 HG21 ' A' ' 70' ' ' ILE . 12.5 mt-30 -55.65 166.36 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -159.72 146.84 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.443 HD11 ' HG2' ' A' ' 21' ' ' PRO . 91.4 mt -88.75 129.77 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.862 HG21 HG21 ' A' ' 41' ' ' VAL . 19.6 m -136.93 166.45 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.136 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.539 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 17.6 ttp180 -111.82 140.22 46.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 67' ' ' ASP . 64.9 t -73.38 149.11 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.404 HD13 ' HD3' ' A' ' 48' ' ' ARG . 19.5 mt -124.02 -60.9 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -142.92 170.18 16.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.523 HG22 ' H ' ' A' ' 35' ' ' GLY . 7.7 m -145.47 111.01 4.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.617 0.722 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 3.13 2.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.683 2.255 . . . . 0.0 112.299 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.523 ' H ' HG22 ' A' ' 33' ' ' THR . . . 95.87 -45.61 1.96 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.489 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -54.34 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -81.21 40.8 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.411 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 53.4 mt -132.08 163.51 28.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.941 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.604 ' O ' HG22 ' A' ' 51' ' ' VAL . 54.6 m-70 -151.92 125.28 8.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -84.58 108.89 17.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.862 HG21 HG21 ' A' ' 28' ' ' VAL . 28.8 m -118.77 171.22 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -135.58 152.02 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.6 p -92.82 -178.12 4.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.592 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . . . -75.22 -24.26 57.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -87.67 23.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.7 67.51 2.17 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -139.09 106.18 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.943 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.404 ' HD3' HD13 ' A' ' 31' ' ' LEU . 40.6 mtt180 -83.74 148.64 26.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.487 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 27.5 p90 -172.08 175.03 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -109.69 152.33 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.688 HG11 HG11 ' A' ' 71' ' ' VAL . 34.8 m -135.35 152.72 32.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -99.84 165.04 11.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.822 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.9 tpt -96.71 133.2 24.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.537 0.684 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.548 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 Cg_exo -47.97 164.69 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.644 2.23 . . . . 0.0 112.361 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.7 m -79.06 -37.09 39.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.587 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 12.6 pttt -67.26 -34.73 78.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.587 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 14.7 m-30 -83.79 37.87 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.9 ttt-85 -64.97 80.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -174.18 177.14 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.59 79.92 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 21.9 mt -66.7 142.8 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.431 ' CZ2' ' HD2' ' A' ' 64' ' ' LYS . 13.0 t-105 -74.72 101.77 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.22 130.48 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HD2' ' CZ2' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -117.87 177.01 4.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 66' ' ' GLY . 0.0 OUTLIER -71.87 147.27 47.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.469 ' N ' ' HD3' ' A' ' 65' ' ' ARG . . . 87.05 -40.82 3.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.742 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.9 OUTLIER -43.29 124.01 3.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.862 0.363 . . . . 0.0 110.83 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 54.3 m-85 -88.28 132.14 34.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.506 HD23 ' O ' ' A' ' 68' ' ' PHE . 13.2 mt -131.49 164.96 24.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 85' ' ' SER . 92.8 mt -104.01 115.09 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.688 HG11 HG11 ' A' ' 51' ' ' VAL . 16.5 m -107.75 154.1 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.496 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -123.33 130.52 24.5 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.709 . . . . 0.0 110.883 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 142.35 47.64 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.295 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.701 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.8 mt -117.5 145.87 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -61.66 -177.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -44.23 117.39 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.33 -143.47 3.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -52.61 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.912 0.387 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -83.07 21.49 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.403 ' C ' ' HE3' ' A' ' 81' ' ' LYS . 89.6 t -100.17 138.42 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.462 ' N ' ' HE3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -82.58 -49.69 9.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.496 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -149.78 -177.2 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.11 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.701 ' HG3' HD11 ' A' ' 74' ' ' ILE . 47.5 mt-10 -141.1 140.33 34.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.822 HD12 ' SD ' ' A' ' 53' ' ' MET . 43.1 mt -49.78 159.62 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.541 ' N ' HG22 ' A' ' 84' ' ' ILE . 55.9 m -131.52 -42.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -155.44 154.99 32.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 96.9 t -95.14 107.86 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.161 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 39.3 mt -69.68 145.45 52.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 90' ' ' LYS . 2.5 t -126.03 161.75 26.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 89' ' ' CYS . 29.2 mmtm -35.98 -53.23 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -61.31 -56.05 24.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.509 ' CE1' ' HB ' ' A' ' 19' ' ' ILE . 2.9 t-160 -38.45 -57.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.626 HG22 ' CZ3' ' A' ' 102' ' ' TRP . 98.3 t -49.72 -42.93 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.123 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -51.63 -44.67 63.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.3 m -65.1 -62.54 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.6 mt -44.0 -43.49 6.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -63.69 -42.15 98.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -63.73 -50.34 69.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.76 -28.77 68.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.65 38.81 4.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -113.57 -37.74 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.626 ' CZ3' HG22 ' A' ' 93' ' ' VAL . 64.6 t-105 -47.05 138.79 7.36 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.519 0.675 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.521 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 54.1 Cg_endo -69.75 168.32 21.88 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 pp20? -95.55 -34.88 11.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.592 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -62.26 -7.88 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.09 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.425 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 11.8 m-85 -127.75 17.26 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 m -94.02 -34.75 12.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -84.65 33.53 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.491 HG21 ' HZ ' ' A' ' 68' ' ' PHE . 34.8 m -130.65 -33.14 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -51.76 -52.35 49.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.405 ' CD ' ' H ' ' A' ' 111' ' ' GLU . 1.0 OUTLIER -75.7 -29.31 58.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.4 tptp -98.26 49.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -129.14 108.32 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -157.81 110.18 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.2 m -110.7 141.32 44.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 69.88 146.24 0.27 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.7 Cg_endo -69.78 1.85 4.08 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 117' ' ' PRO . 26.5 t -34.79 129.19 0.44 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 81.5 p -121.26 134.6 55.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.515 -179.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -125.84 144.04 50.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.3 p -107.83 116.54 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -172.56 -110.84 0.25 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.4 t -123.85 -51.97 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.828 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.6 m 65.17 42.38 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.3 63.95 4.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -141.9 146.38 35.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.515 ' O ' HG23 ' A' ' 20' ' ' VAL . 56.3 t-80 -115.94 169.17 9.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.2 mt -41.31 142.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 18' ' ' HIS . 54.1 t -140.47 126.95 11.93 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.643 0.735 . . . . 0.0 111.133 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.537 ' HG2' HD11 ' A' ' 27' ' ' ILE . 64.7 Cg_exo -47.96 119.26 3.72 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 0.0 112.325 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -61.42 158.85 13.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -45.96 -51.05 14.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -73.61 -40.92 63.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.5 HE21 HG21 ' A' ' 70' ' ' ILE . 7.4 mt-30 -55.64 150.35 12.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -141.02 143.18 34.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.537 HD11 ' HG2' ' A' ' 21' ' ' PRO . 66.8 mt -89.13 120.79 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.927 HG21 HG21 ' A' ' 41' ' ' VAL . 26.9 m -127.41 175.25 9.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.146 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.444 ' CD ' ' HA2' ' A' ' 66' ' ' GLY . 8.2 ttt-85 -118.89 140.83 49.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.632 ' HA ' HG12 ' A' ' 41' ' ' VAL . 84.9 t -73.74 153.41 7.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 42' ' ' GLU . 24.8 mt -130.46 -57.76 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 32' ' ' ARG . 23.8 mtm105 -155.79 168.22 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 38' ' ' LEU . 1.9 m -144.1 123.45 7.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.557 0.694 . . . . 0.0 111.178 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -6.26 18.18 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.367 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.403 ' H ' HG22 ' A' ' 33' ' ' THR . . . 107.29 -38.12 3.49 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -58.38 -174.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.774 0.321 . . . . 0.0 110.912 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -81.14 40.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.556 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 21.4 mt -138.2 171.29 14.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.649 ' O ' HG22 ' A' ' 51' ' ' VAL . 32.4 m-70 -154.85 141.87 19.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -98.27 116.27 30.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.927 HG21 HG21 ' A' ' 28' ' ' VAL . 31.3 m -122.69 177.26 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.512 ' HB3' HD11 ' A' ' 31' ' ' LEU . 7.3 pt-20 -139.15 148.67 43.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.3 p -93.35 178.39 5.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . . . -71.11 -20.76 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -90.06 24.14 2.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.83 58.84 12.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -131.28 107.97 9.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.791 0.329 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -85.24 137.87 32.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.737 ' CE1' HG23 ' A' ' 41' ' ' VAL . 19.6 p90 -155.41 179.15 9.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -112.01 154.98 24.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 39' ' ' HIS . 32.2 m -130.42 164.64 32.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.15 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.635 ' OG ' HG21 ' A' ' 80' ' ' VAL . 1.5 m -119.15 160.65 21.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.572 ' SD ' HD12 ' A' ' 84' ' ' ILE . 4.2 tpt -96.09 125.18 49.21 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.553 0.692 . . . . 0.0 110.862 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.556 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.4 Cg_exo -48.01 133.03 23.19 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.329 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -59.62 -11.35 4.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.557 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 9.8 pttt -95.32 -16.42 22.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.557 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 12.6 m-30 -99.24 45.22 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -68.21 85.98 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.0 tttm -174.88 170.54 3.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -89.25 82.75 6.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.2 mt -74.43 147.67 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.429 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 18.7 t90 -74.75 99.45 3.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.5 mt -124.51 106.3 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 6.2 mtmp? -113.08 174.7 5.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.436 ' HG2' ' N ' ' A' ' 66' ' ' GLY . 44.8 ttt180 -68.65 149.69 48.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.444 ' HA2' ' CD ' ' A' ' 29' ' ' ARG . . . 81.61 -41.32 2.68 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.527 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -43.84 124.52 3.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 110.886 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.606 ' O ' HD23 ' A' ' 69' ' ' LEU . 33.9 m-85 -88.91 138.42 31.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 68' ' ' PHE . 12.0 mt -142.47 170.48 15.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.5 HG21 HE21 ' A' ' 25' ' ' GLN . 72.8 mt -111.26 113.85 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.609 HG11 HG11 ' A' ' 51' ' ' VAL . 16.2 m -109.07 154.68 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.473 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 21.7 t70 -123.62 133.31 24.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.629 0.728 . . . . 0.0 110.851 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 151.1 69.02 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.372 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.833 HD11 ' HG3' ' A' ' 83' ' ' GLU . 8.7 mt -123.07 152.59 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.91 -178.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -38.12 122.85 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.29 -143.71 4.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.567 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.92 -174.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.384 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 ttpt -83.09 21.54 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.635 HG21 ' OG ' ' A' ' 52' ' ' SER . 87.9 t -100.21 136.13 32.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.092 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -80.08 -59.47 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.473 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -138.37 176.26 8.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.06 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.833 ' HG3' HD11 ' A' ' 74' ' ' ILE . 18.8 mt-10 -132.47 147.24 52.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.572 HD12 ' SD ' ' A' ' 53' ' ' MET . 53.1 mt -53.46 138.42 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.9 m -113.73 -46.04 3.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -156.48 151.57 26.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.487 ' HA ' HD22 ' A' ' 69' ' ' LEU . 56.2 t -94.89 109.89 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.594 HD23 ' CE1' ' A' ' 92' ' ' HIS . 60.7 mt -67.85 138.86 56.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 90' ' ' LYS . 25.6 m -108.12 153.56 22.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 89' ' ' CYS . 29.2 mttt -34.66 -54.19 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -61.43 -44.9 96.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.594 ' CE1' HD23 ' A' ' 88' ' ' LEU . 6.1 t-160 -49.75 -54.74 17.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.63 HG13 ' CH2' ' A' ' 102' ' ' TRP . 69.7 t -44.67 -63.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -45.69 -48.65 15.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.2 t -52.69 -61.69 2.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.485 HD21 ' HD3' ' A' ' 21' ' ' PRO . 37.1 mt -44.89 -41.35 7.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.41 ' NE2' HG12 ' A' ' 93' ' ' VAL . 70.7 mt-30 -62.16 -50.97 69.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -57.15 -49.74 75.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.86 -27.51 68.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.13 49.02 2.13 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -127.72 -39.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.794 0.331 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.63 ' CH2' HG13 ' A' ' 93' ' ' VAL . 59.8 t-105 -48.82 139.3 11.92 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.58 0.705 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.5 Cg_endo -69.77 174.43 9.53 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -95.84 -37.77 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -57.01 -31.97 65.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -105.22 18.86 21.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.6 t -97.59 -30.51 12.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -91.66 28.2 1.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.5 m -120.08 -35.41 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.23 -51.79 22.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -43.89 -48.58 8.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -129.72 87.04 2.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -100.69 -51.86 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -152.66 173.47 15.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.9 t -132.07 108.84 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 158.83 -94.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -50.67 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.26 . . . . 0.0 112.352 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 73.9 m -77.12 92.99 3.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.1 t -168.75 136.64 2.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.826 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.2 t -80.93 87.64 5.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 110.846 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 p -83.53 147.02 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 144.02 -124.89 2.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.503 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.3 m -53.55 153.9 3.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.817 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.2 t -75.92 150.86 37.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -74.02 -126.75 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 16' ' ' GLY . 2.2 tp10 -37.73 110.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.864 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.598 ' O ' HG23 ' A' ' 20' ' ' VAL . 41.3 t-80 -72.51 171.15 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 77.0 mt -50.08 133.91 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' ' 18' ' ' HIS . 83.9 t -142.79 134.04 12.81 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.633 0.73 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.435 ' HD2' HG13 ' A' ' 20' ' ' VAL . 64.1 Cg_exo -48.01 119.44 3.91 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.348 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.5 m -55.93 177.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.814 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -57.85 -46.46 84.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -83.54 -39.13 20.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -53.47 149.05 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -142.65 147.7 36.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.5 mt -87.25 131.44 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.555 HG11 ' HZ ' ' A' ' 49' ' ' PHE . 16.0 m -137.67 172.56 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -118.48 134.44 55.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.853 ' HA ' HG12 ' A' ' 41' ' ' VAL . 60.8 t -68.83 144.12 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.698 HD11 ' HB3' ' A' ' 42' ' ' GLU . 19.5 mt -118.33 -47.98 2.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -165.08 172.48 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 38' ' ' LEU . 6.0 m -148.04 119.63 4.47 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.54 0.686 . . . . 0.0 111.144 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -0.65 7.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.654 2.236 . . . . 0.0 112.333 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.55 ' H ' HG22 ' A' ' 33' ' ' THR . . . 103.22 -43.39 1.68 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.443 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -53.91 -174.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -81.2 40.72 0.56 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' A' ' 52' ' ' SER . 30.5 mt -139.13 169.47 17.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.565 ' CD2' ' O ' ' A' ' 38' ' ' LEU . 35.7 m-70 -153.41 142.31 21.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.616 ' HG2' HD12 ' A' ' 31' ' ' LEU . 44.3 tt0 -97.23 109.04 21.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.853 HG12 ' HA ' ' A' ' 30' ' ' VAL . 9.5 m -115.73 174.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.698 ' HB3' HD11 ' A' ' 31' ' ' LEU . 14.7 pt-20 -135.55 152.15 51.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.0 p -95.06 171.84 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.29 -26.8 68.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -89.13 25.99 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 55.24 70.12 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -139.31 105.43 5.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.596 ' HD3' HD13 ' A' ' 31' ' ' LEU . 31.2 mtt180 -80.31 145.07 32.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.656 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 24.3 p90 -167.6 171.02 10.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -107.39 151.28 25.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.61 HG11 HG11 ' A' ' 71' ' ' VAL . 24.8 m -133.05 153.61 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.134 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.67 ' HA ' HD23 ' A' ' 38' ' ' LEU . 1.7 t -97.74 168.35 10.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.868 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.681 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.3 tpt -104.27 131.83 21.54 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.556 0.693 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.559 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.8 Cg_exo -47.99 174.77 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 86.6 p -93.4 -23.23 18.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.577 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 47.1 pttt -87.08 -12.2 47.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.94 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.577 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 12.7 m-30 -98.96 31.06 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -60.43 79.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 57' ' ' TYR . 16.1 tttp -175.12 155.61 1.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -75.1 83.19 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.1 mt -71.17 145.22 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.453 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 25.0 t90 -76.15 87.28 3.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.2 mt -114.34 110.29 31.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 6.9 mtmp? -115.65 178.63 4.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -71.67 148.15 46.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.82 -22.02 27.19 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.565 ' O ' HG23 ' A' ' 30' ' ' VAL . 64.2 t0 -72.63 125.67 28.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.914 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.685 ' O ' HD23 ' A' ' 69' ' ' LEU . 11.1 m-85 -88.15 132.22 34.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.685 HD23 ' O ' ' A' ' 68' ' ' PHE . 13.2 mt -133.41 163.9 28.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 85' ' ' SER . 93.3 mt -107.16 106.06 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.147 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.61 HG11 HG11 ' A' ' 51' ' ' VAL . 19.1 m -94.86 162.12 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.549 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -126.62 121.93 23.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.64 0.733 . . . . 0.0 110.882 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 137.9 36.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.646 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.0 mt -117.25 144.66 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.171 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -61.13 -177.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -42.64 120.88 1.83 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.89 -131.98 1.38 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -62.99 -175.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.43 ' H ' ' CD ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -82.11 17.9 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.434 ' C ' ' HE2' ' A' ' 81' ' ' LYS . 88.5 t -100.27 143.53 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.466 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 7.8 mmpt? -83.65 -52.79 6.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.549 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -147.53 -178.92 6.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.646 ' HG3' HD11 ' A' ' 74' ' ' ILE . 22.4 mt-10 -133.52 139.73 46.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.681 HD12 ' SD ' ' A' ' 53' ' ' MET . 44.6 mt -54.28 144.08 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.498 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 67.2 m -114.4 -39.6 3.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.498 ' CG ' ' O ' ' A' ' 85' ' ' SER . 95.3 m-85 -162.16 163.11 28.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.473 ' HA ' HD22 ' A' ' 69' ' ' LEU . 85.9 t -105.69 102.22 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 33.8 mt -66.01 149.32 50.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.471 ' O ' HG23 ' A' ' 93' ' ' VAL . 94.4 m -120.92 -177.22 3.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -53.6 -54.99 29.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' ARG . 1.3 t0 -60.42 -60.13 4.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t-160 -34.92 -58.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.803 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.624 HG22 ' CH2' ' A' ' 102' ' ' TRP . 93.7 t -49.09 -40.3 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 91' ' ' ASP . 17.1 mmt85 -56.52 -43.39 79.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 m -62.31 -70.54 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 41.2 mt -39.74 -37.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -64.04 -45.7 87.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -71.59 -37.0 71.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.77 -29.19 70.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.29 44.77 2.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.485 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -126.72 -42.31 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.624 ' CH2' HG22 ' A' ' 93' ' ' VAL . 54.1 t-105 -42.56 139.22 2.01 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.585 0.707 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.525 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.77 174.29 9.74 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -97.37 -29.02 13.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.27 98.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.495 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 7.0 m-85 -100.48 22.84 11.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -97.06 -37.75 10.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -84.09 34.22 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.8 m -129.08 -37.8 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.76 39.32 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -83.76 -68.36 0.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -101.92 92.11 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -133.35 80.84 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -73.16 156.94 38.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.1 t -64.03 149.32 47.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.96 -158.14 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -16.7 37.59 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.308 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.5 m -145.53 143.73 30.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.9 t -134.46 151.6 51.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.511 -179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.6 p -62.54 98.61 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.828 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.0 t -76.36 108.84 9.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.46 157.03 21.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.527 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.5 m -61.55 143.8 55.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.837 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.4 t -74.18 -52.87 11.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.77 139.93 11.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -101.32 -53.6 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.854 0.359 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.639 ' O ' HG23 ' A' ' 20' ' ' VAL . 49.9 t-80 -106.08 168.43 9.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 61.5 mt -51.73 108.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 18' ' ' HIS . 92.1 t -125.72 138.34 31.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.614 0.721 . . . . 0.0 111.163 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.594 ' HD2' HG13 ' A' ' 20' ' ' VAL . 65.7 Cg_exo -47.97 129.79 18.71 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -84.08 176.39 8.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.28 -54.44 46.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -42.09 88.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.465 ' HB3' HG23 ' A' ' 70' ' ' ILE . 56.4 mt-30 -66.12 171.23 4.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -159.99 147.62 16.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.579 HD11 ' CG ' ' A' ' 21' ' ' PRO . 59.4 mt -90.14 119.8 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.721 HG21 HG21 ' A' ' 41' ' ' VAL . 17.5 m -127.27 165.54 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.8 ttt-85 -114.1 132.17 56.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.821 ' HA ' HG12 ' A' ' 41' ' ' VAL . 72.7 t -64.54 156.78 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.484 ' N ' HG12 ' A' ' 30' ' ' VAL . 21.0 mt -129.56 -46.38 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.428 ' HG2' ' N ' ' A' ' 33' ' ' THR . 9.0 ttm105 -171.99 152.96 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.657 HG22 ' H ' ' A' ' 35' ' ' GLY . 28.3 m -125.63 121.93 24.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.603 0.716 . . . . 0.0 111.154 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -14.24 36.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.718 2.279 . . . . 0.0 112.377 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.657 ' H ' HG22 ' A' ' 33' ' ' THR . . . 120.08 -49.66 0.86 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.516 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -51.82 -174.59 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -81.24 40.79 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.423 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 38.1 mt -133.67 165.8 24.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.571 ' CE1' ' CD1' ' A' ' 63' ' ' ILE . 49.5 m-70 -151.63 138.34 18.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG2' HD12 ' A' ' 31' ' ' LEU . 47.8 tt0 -97.15 113.33 24.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.821 HG12 ' HA ' ' A' ' 30' ' ' VAL . 18.5 m -120.29 179.42 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.4 ' HB3' HD11 ' A' ' 31' ' ' LEU . 14.1 pt-20 -138.88 144.11 39.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.479 ' HA ' HG12 ' A' ' 28' ' ' VAL . 27.5 p -85.52 173.7 10.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.38 -24.17 63.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -89.87 24.86 2.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.14 64.0 4.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -135.66 105.19 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.457 ' HD3' HD13 ' A' ' 31' ' ' LEU . 71.3 mtt180 -83.93 143.04 30.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.2 p90 -167.0 179.33 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -111.31 162.07 15.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.459 HG11 HG11 ' A' ' 71' ' ' VAL . 33.6 m -144.22 155.18 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.2 t -101.26 163.86 12.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.777 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.5 tpt -96.67 132.76 25.58 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.556 0.693 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.54 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.5 Cg_exo -47.94 161.38 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.67 2.246 . . . . 0.0 112.321 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.5 m -79.11 -27.98 42.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.554 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 10.4 pttm -81.71 -21.29 38.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.554 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.3 m-30 -88.25 25.52 1.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.1 mtp-105 -59.5 79.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' TYR . 10.1 tptm -175.04 140.89 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.03 90.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.1 mt -82.46 146.13 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 12.5 t-105 -77.03 103.25 6.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.571 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 42.1 mt -122.51 138.1 53.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 63' ' ' ILE . 9.4 mmpt? -134.68 170.01 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.2 ttt-85 -73.71 145.4 45.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.85 -6.8 83.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -81.65 130.27 34.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.784 ' O ' HD23 ' A' ' 69' ' ' LEU . 61.6 m-85 -88.29 134.63 33.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.784 HD23 ' O ' ' A' ' 68' ' ' PHE . 12.9 mt -139.94 167.76 21.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 85' ' ' SER . 88.5 mt -108.76 118.05 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.459 HG11 HG11 ' A' ' 51' ' ' VAL . 4.6 m -114.5 155.15 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.49 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 4.3 t0 -125.16 131.76 24.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.588 0.709 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.401 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 53.7 Cg_endo -69.77 146.39 60.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.68 2.253 . . . . 0.0 112.386 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.864 HD11 ' HG3' ' A' ' 83' ' ' GLU . 11.0 mt -117.38 158.36 18.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.41 ' N ' HG22 ' A' ' 74' ' ' ILE . 2.5 pt-20 -74.66 177.79 5.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.841 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -38.48 114.9 0.41 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.72 -133.08 1.44 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.481 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.06 -174.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.899 0.38 . . . . 0.0 110.933 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -82.92 21.11 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 89.8 t -100.2 137.24 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -80.21 -53.1 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.49 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -146.27 177.02 9.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.063 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.864 ' HG3' HD11 ' A' ' 74' ' ' ILE . 34.2 mt-10 -129.26 140.78 51.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.777 HD12 ' SD ' ' A' ' 53' ' ' MET . 88.3 mt -50.58 153.79 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.077 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 70' ' ' ILE . 14.9 m -124.14 -44.37 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -157.95 166.58 32.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.623 ' HA ' HD22 ' A' ' 69' ' ' LEU . 96.4 t -107.56 101.44 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 23.1 mt -66.46 146.1 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 3.3 t -113.54 172.84 6.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.924 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -50.37 -49.49 54.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -64.73 -51.59 61.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -43.3 -56.53 3.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.62 HG13 ' CH2' ' A' ' 102' ' ' TRP . 84.4 t -48.89 -29.35 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -69.98 -49.46 51.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -54.87 -66.3 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.425 HD13 HD11 ' A' ' 27' ' ' ILE . 65.0 mt -41.03 -41.17 1.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -60.49 -42.57 96.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -74.1 -40.85 62.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.427 ' HB3' ' CE2' ' A' ' 101' ' ' PHE . 34.9 mt-10 -62.92 -25.76 68.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.19 39.0 4.94 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.495 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.519 ' CE2' HG11 ' A' ' 20' ' ' VAL . 57.9 m-85 -116.67 -38.24 3.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.62 ' CH2' HG13 ' A' ' 93' ' ' VAL . 40.9 t-105 -49.76 139.21 16.62 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.554 0.692 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.7 Cg_endo -69.75 176.74 6.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.246 . . . . 0.0 112.321 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -100.56 -9.07 22.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.04 -8.94 54.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.434 ' HA ' ' CG2' ' A' ' 109' ' ' VAL . 16.1 m-85 -128.21 -10.26 5.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.6 p -46.12 -51.63 13.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -90.44 29.93 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.434 ' CG2' ' HA ' ' A' ' 106' ' ' PHE . 78.1 t -116.6 -22.72 4.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.3 -57.92 2.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -43.31 -60.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -74.28 -58.05 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 46.85 40.99 9.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -123.53 144.15 49.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.8 m -147.45 142.97 27.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 120.23 146.24 7.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 95.8 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.605 2.203 . . . . 0.0 112.352 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 96.1 p -169.27 172.69 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.1 m -49.83 -56.36 10.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.1 m -76.97 147.06 37.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.822 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.8 t -124.72 117.58 24.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.86 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 153.56 126.15 1.09 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.0 m -127.13 120.84 29.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.1 m -61.59 147.99 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 107.14 -86.21 0.45 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -101.93 50.39 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.899 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.721 ' O ' HG23 ' A' ' 20' ' ' VAL . 59.1 t-80 -83.72 163.58 20.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 87.6 mt -38.95 119.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 18' ' ' HIS . 45.4 t -131.75 129.63 22.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 111.11 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.539 ' HD3' HD21 ' A' ' 96' ' ' LEU . 65.1 Cg_exo -48.0 125.22 11.27 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.346 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.9 p -68.04 173.27 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -56.28 -45.77 80.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.47 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 42.6 mt-30 -78.45 -36.46 45.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.423 HE21 HG21 ' A' ' 70' ' ' ILE . 22.5 mt-30 -67.97 150.94 47.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.8 pt20 -146.47 151.3 37.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.691 HD11 HD13 ' A' ' 96' ' ' LEU . 67.8 mt -87.48 127.87 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.917 HG21 HG21 ' A' ' 41' ' ' VAL . 30.7 m -133.83 164.5 34.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -111.24 132.29 54.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.827 ' HA ' HG12 ' A' ' 41' ' ' VAL . 57.0 t -68.5 138.57 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 42' ' ' GLU . 24.2 mt -112.74 -58.53 2.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -148.24 -178.57 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 35' ' ' GLY . 2.8 m -156.02 118.35 2.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 111.147 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -3.55 12.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.638 2.226 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' H ' HG22 ' A' ' 33' ' ' THR . . . 105.18 -44.36 1.49 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -52.97 -174.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.821 0.343 . . . . 0.0 110.92 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -81.1 40.75 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.688 HD23 ' HA ' ' A' ' 52' ' ' SER . 18.9 mt -135.89 171.43 14.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.513 ' CE1' HD12 ' A' ' 63' ' ' ILE . 46.1 m-70 -155.2 138.83 16.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.47 112.34 24.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.917 HG21 HG21 ' A' ' 28' ' ' VAL . 27.3 m -117.49 179.88 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.581 ' HB3' HD11 ' A' ' 31' ' ' LEU . 9.4 pt-20 -138.61 143.99 39.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.0 p -90.02 166.15 13.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.583 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . . . -57.41 -27.75 62.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.082 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -87.22 28.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.14 51.47 46.38 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -117.68 102.46 9.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.759 0.314 . . . . 0.0 110.92 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.3 mtt85 -79.72 142.55 35.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.587 ' CE1' HG23 ' A' ' 41' ' ' VAL . 10.4 p90 -168.12 178.76 4.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -112.9 159.98 18.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.765 HG11 HG11 ' A' ' 71' ' ' VAL . 33.4 m -140.68 151.76 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.688 ' HA ' HD23 ' A' ' 38' ' ' LEU . 5.9 t -97.11 161.67 13.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.872 ' SD ' HD12 ' A' ' 84' ' ' ILE . 6.5 tpt -99.41 132.5 23.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.557 0.694 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.459 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.3 Cg_exo -47.98 163.92 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.299 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 58.2 m -80.37 -37.27 32.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.497 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 37.6 pttt -72.92 -14.99 61.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.497 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 10.3 m-30 -95.37 24.68 4.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.953 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -58.52 80.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 57' ' ' TYR . 27.0 mtmt -168.25 172.33 8.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -91.95 81.61 5.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.422 HD12 ' CE ' ' A' ' 53' ' ' MET . 13.2 mt -72.87 140.48 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -74.96 106.27 6.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.513 HD12 ' CE1' ' A' ' 39' ' ' HIS . 71.2 mt -126.17 135.13 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -129.28 175.29 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -76.67 126.92 31.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.68 -22.34 24.15 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 30' ' ' VAL . 5.4 t0 -64.35 128.49 36.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.87 ' O ' HD23 ' A' ' 69' ' ' LEU . 49.4 m-85 -90.29 130.07 36.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.87 HD23 ' O ' ' A' ' 68' ' ' PHE . 12.8 mt -133.39 165.12 25.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 85' ' ' SER . 89.5 mt -107.56 105.07 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.765 HG11 HG11 ' A' ' 51' ' ' VAL . 32.8 m -93.7 157.91 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.142 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.56 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -124.09 122.1 26.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.579 0.704 . . . . 0.0 110.89 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.47 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 54.0 Cg_endo -69.69 143.2 50.43 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.852 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.6 mt -119.53 154.55 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 76' ' ' GLU . 5.4 pt-20 -72.13 -177.43 2.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 75' ' ' GLU . 58.1 mm-40 -37.45 122.88 0.94 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.05 -130.45 1.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -68.72 -174.9 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.89 0.376 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.45 ' N ' ' HE3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -82.95 20.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.881 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.4 t -100.18 135.16 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -77.8 -51.85 9.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.56 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -146.48 177.47 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.852 ' HG3' HD11 ' A' ' 74' ' ' ILE . 23.8 mt-10 -129.65 140.25 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.872 HD12 ' SD ' ' A' ' 53' ' ' MET . 76.6 mt -54.71 139.36 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 70' ' ' ILE . 19.5 m -108.57 -48.09 3.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -154.36 169.6 23.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.687 ' HA ' HD22 ' A' ' 69' ' ' LEU . 98.6 t -107.84 104.35 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.459 HD12 ' C ' ' A' ' 68' ' ' PHE . 12.7 mt -67.17 150.02 49.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.405 ' O ' ' C ' ' A' ' 90' ' ' LYS . 28.6 m -130.5 164.23 25.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 89' ' ' CYS . 23.6 mmmt -38.07 -41.54 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' HIS . 14.3 m-20 -68.78 -64.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.0 t-160 -35.63 -58.65 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' HIS . 91.9 t -36.24 -58.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -44.6 -55.18 5.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.7 m -46.13 -54.54 8.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.691 HD13 HD11 ' A' ' 27' ' ' ILE . 50.9 mt -63.26 -37.71 88.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -62.01 -40.28 95.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -72.29 -47.64 48.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.0 -21.4 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 88.44 33.71 10.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -106.63 -37.51 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.351 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.529 ' CD2' ' HD2' ' A' ' 103' ' ' PRO . 53.0 t-105 -47.66 137.86 9.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.564 0.697 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.529 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.4 Cg_endo -69.74 -170.2 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.272 . . . . 0.0 112.34 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -110.06 -35.39 6.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.583 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -62.56 -23.28 66.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -112.08 21.81 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 t -100.95 -39.01 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.83 25.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.3 m -116.8 -28.8 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.61 -51.12 9.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -49.17 -29.22 5.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -90.3 -27.9 19.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -105.34 76.54 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.413 ' CG ' ' N ' ' A' ' 115' ' ' SER . 23.6 t-20 -121.44 169.44 10.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.413 ' N ' ' CG ' ' A' ' 114' ' ' ASN . 51.4 p -98.47 134.45 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 104.32 147.34 16.95 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.5 Cg_endo -69.76 96.05 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.308 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 117' ' ' PRO . 6.6 m 37.94 41.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.6 p -153.2 134.41 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.4 t 67.1 42.74 2.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.8 t -73.72 -47.29 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 122.76 -168.42 15.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.3 t -93.34 81.22 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 90.6 p -130.83 138.93 50.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -108.01 72.77 0.21 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.454 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -122.23 106.53 11.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.784 ' O ' HG23 ' A' ' 20' ' ' VAL . 44.5 t-80 -125.17 168.39 13.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 66.1 mt -36.85 121.79 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 18' ' ' HIS . 75.3 t -128.3 125.48 23.33 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 0.0 111.147 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.477 ' HG2' HD11 ' A' ' 27' ' ' ILE . 64.3 Cg_exo -47.97 120.68 5.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -66.48 168.61 8.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -52.0 -36.37 49.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -83.38 -38.26 22.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -67.85 145.63 54.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -137.33 151.63 48.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.477 HD11 ' HG2' ' A' ' 21' ' ' PRO . 78.9 mt -96.84 130.27 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.615 HG21 HG21 ' A' ' 41' ' ' VAL . 19.2 m -134.38 179.65 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.463 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 19.2 ttt180 -125.28 139.77 53.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.732 ' HA ' HG12 ' A' ' 41' ' ' VAL . 23.3 t -77.09 152.01 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 mt -127.74 -55.3 1.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.0 mtm-85 -154.36 162.75 40.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 35' ' ' GLY . 2.5 m -134.63 119.58 14.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 111.172 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -1.03 7.8 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.706 2.27 . . . . 0.0 112.329 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' H ' HG22 ' A' ' 33' ' ' THR . . . 103.23 -40.22 2.51 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.494 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -61.06 -174.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.435 ' O ' HD23 ' A' ' 38' ' ' LEU . 42.7 p30 -81.46 40.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.49 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 16.9 mt -133.24 166.93 21.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.608 ' O ' HG22 ' A' ' 51' ' ' VAL . 39.2 m-70 -152.3 127.7 9.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.476 ' OE1' HD21 ' A' ' 50' ' ' LEU . 3.4 tp10 -85.03 102.74 13.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.732 HG12 ' HA ' ' A' ' 30' ' ' VAL . 7.8 m -110.35 178.71 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.174 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -143.49 147.45 34.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.9 p -87.13 -179.36 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.19 -19.47 59.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -91.77 23.74 3.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.956 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.8 61.73 7.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -133.39 101.32 5.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -80.28 142.91 34.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.412 ' HZ ' HG11 ' A' ' 28' ' ' VAL . 22.4 p90 -166.32 174.94 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.476 HD21 ' OE1' ' A' ' 40' ' ' GLU . 22.4 mt -105.8 156.38 18.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.827 HG11 HG11 ' A' ' 71' ' ' VAL . 27.0 m -139.85 142.88 31.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -89.19 161.22 16.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.745 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.9 tpt -101.82 132.62 21.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.541 0.686 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 66.4 Cg_exo -48.02 170.93 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.697 2.265 . . . . 0.0 112.357 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -83.91 -41.97 16.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.56 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.0 pttm -66.55 -26.85 67.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 12.3 m-30 -84.46 24.57 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -60.7 78.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' TYR . 2.8 ttpm? -175.21 134.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -56.53 87.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 62' ' ' TRP . 26.2 mt -74.66 155.21 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.537 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 28.4 t90 -81.91 87.73 6.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.945 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.431 HG23 HG21 ' A' ' 30' ' ' VAL . 86.0 mt -116.64 115.01 47.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.537 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 43.4 mtmt -118.95 170.78 8.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -57.75 146.72 30.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.463 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 89.41 -35.73 3.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.454 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.701 ' O ' HG23 ' A' ' 30' ' ' VAL . 35.7 t0 -53.72 122.28 9.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.578 ' O ' HD23 ' A' ' 69' ' ' LEU . 28.1 m-85 -90.99 129.02 37.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.578 HD23 ' O ' ' A' ' 68' ' ' PHE . 14.3 mt -127.74 168.05 15.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 85' ' ' SER . 91.9 mt -111.26 107.64 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.827 HG11 HG11 ' A' ' 51' ' ' VAL . 22.5 m -102.18 157.08 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.518 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -122.34 129.64 25.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 110.855 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.0 49.45 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.841 HD11 ' HG3' ' A' ' 83' ' ' GLU . 8.9 mt -118.79 153.8 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.78 177.8 1.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -42.42 113.75 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -162.95 -141.13 3.04 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -51.97 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.89 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -82.6 18.66 1.46 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 66.9 t -100.15 138.19 25.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.164 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -83.44 -44.57 14.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.502 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -153.91 178.4 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.841 ' HG3' HD11 ' A' ' 74' ' ' ILE . 44.8 mt-10 -134.1 138.39 45.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.745 HD12 ' SD ' ' A' ' 53' ' ' MET . 40.9 mt -55.36 146.69 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' ILE . 30.2 m -115.33 -42.65 3.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.815 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -153.18 173.02 16.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.824 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.9 t -114.29 104.76 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.4 mt -69.04 154.21 42.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.939 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' LYS . 26.7 p -133.1 159.49 39.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' CYS . 2.4 mmmm -34.77 -45.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' HIS . 5.5 m-20 -63.58 -63.87 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 93' ' ' VAL . 3.3 t-160 -36.58 -59.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.535 HG22 ' CH2' ' A' ' 102' ' ' TRP . 84.6 t -34.27 -59.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.414 HH12 ' CE ' ' A' ' 90' ' ' LYS . 8.7 mpt_? -43.07 -58.66 2.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.1 m -41.78 -61.74 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 39.6 mt -55.22 -43.36 74.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -56.92 -39.26 74.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -72.45 -47.76 46.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.51 -22.61 66.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.85 40.81 5.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -115.46 -35.84 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.535 ' CH2' HG22 ' A' ' 93' ' ' VAL . 49.8 t-105 -53.61 139.18 50.31 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.572 0.701 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 54.1 Cg_endo -69.67 -175.05 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.382 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -108.74 -34.39 6.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.36 -7.56 14.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.427 ' C ' HG22 ' A' ' 109' ' ' VAL . 14.5 m-85 -125.35 12.5 8.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -93.11 -30.83 15.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -94.82 23.9 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.427 HG22 ' C ' ' A' ' 106' ' ' PHE . 29.3 m -119.39 -12.69 10.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.6 50.96 0.78 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -118.6 -44.77 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -80.49 -26.11 38.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -50.57 -48.54 57.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -83.67 127.39 33.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.0 m 56.07 49.77 14.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -133.56 -158.32 8.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 2.82 3.21 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.64 2.226 . . . . 0.0 112.365 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.4 t -48.32 137.88 10.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.5 t -56.91 141.13 46.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -94.54 143.26 26.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.908 0.385 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 77.8 p -64.59 157.65 26.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.92 -39.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.6 t -38.97 102.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.825 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 65.6 m -54.7 128.64 33.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.67 -97.81 0.57 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -59.74 100.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.755 ' O ' HG23 ' A' ' 20' ' ' VAL . 49.4 t-80 -109.3 171.25 7.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.429 ' N ' ' CG ' ' A' ' 18' ' ' HIS . 80.6 mt -46.8 114.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 18' ' ' HIS . 93.0 t -123.88 130.97 24.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.711 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.485 ' HD3' HD21 ' A' ' 96' ' ' LEU . 64.2 Cg_exo -48.0 119.61 4.06 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.256 . . . . 0.0 112.365 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -70.21 152.41 44.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -42.14 -50.46 4.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -66.25 -46.07 78.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -60.55 175.27 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -162.28 153.15 17.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.433 HD11 ' HG2' ' A' ' 21' ' ' PRO . 72.8 mt -94.32 125.14 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.626 HG21 HG21 ' A' ' 41' ' ' VAL . 30.5 m -135.77 165.81 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.517 ' HB2' ' CE2' ' A' ' 68' ' ' PHE . 28.0 ttt180 -113.68 138.13 50.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 67' ' ' ASP . 33.5 t -70.56 159.52 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.504 ' N ' HG12 ' A' ' 30' ' ' VAL . 35.4 mt -129.07 -63.42 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ttp180 -158.51 127.88 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.64 HG22 ' H ' ' A' ' 35' ' ' GLY . 9.7 m -94.74 120.42 64.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.574 0.702 . . . . 0.0 111.199 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -1.79 9.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.64 ' H ' HG22 ' A' ' 33' ' ' THR . . . 103.34 -49.3 0.96 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.492 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -52.43 -174.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.7 p30 -81.36 40.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.526 HD23 ' HA ' ' A' ' 52' ' ' SER . 40.2 mt -138.1 160.63 38.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.52 ' O ' HG22 ' A' ' 51' ' ' VAL . 31.0 m-70 -145.41 132.17 20.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -89.49 114.83 26.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.627 HG12 ' HA ' ' A' ' 30' ' ' VAL . 6.5 m -119.52 177.56 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -140.62 143.4 35.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.404 ' HA ' HG12 ' A' ' 28' ' ' VAL . 17.5 p -86.7 176.62 7.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.79 -19.54 60.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -92.14 23.48 3.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.3 65.63 3.32 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.52 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -138.92 107.91 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -85.63 143.44 28.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.541 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 26.2 p90 -165.94 179.9 5.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.6 mt -114.68 155.82 25.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.621 HG11 HG11 ' A' ' 71' ' ' VAL . 31.5 m -136.68 143.31 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.526 ' HA ' HD23 ' A' ' 38' ' ' LEU . 2.1 t -87.56 163.73 16.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.778 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.6 tpt -98.44 133.27 22.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.544 0.688 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.555 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.4 Cg_exo -48.0 169.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 t -87.03 -25.49 24.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.568 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 19.9 pttt -84.73 -16.26 42.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.568 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 12.1 m-30 -94.23 31.18 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -63.05 79.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -175.02 166.18 3.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -81.61 85.31 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.444 HD12 ' CE ' ' A' ' 53' ' ' MET . 22.1 mt -74.71 141.17 16.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.442 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 23.0 t90 -75.04 87.18 2.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 69.8 mt -115.07 109.03 26.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.442 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 7.6 mtmp? -105.4 -178.51 3.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.5 ttt180 -79.07 144.97 34.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.74 -35.13 4.47 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.453 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 30' ' ' VAL . 8.0 t0 -58.84 127.33 31.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 29' ' ' ARG . 56.3 m-85 -89.81 132.82 35.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.641 HD22 ' HA ' ' A' ' 87' ' ' VAL . 11.3 mt -131.5 169.26 16.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 85' ' ' SER . 97.4 mt -109.8 112.4 40.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.148 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.621 HG11 HG11 ' A' ' 51' ' ' VAL . 10.3 m -111.24 155.28 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.586 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -124.47 136.3 27.61 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.613 0.72 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 150.77 68.66 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.732 2.288 . . . . 0.0 112.313 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.937 HD11 ' HG3' ' A' ' 83' ' ' GLU . 13.9 mt -119.85 151.35 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -68.14 173.01 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -39.28 103.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -154.97 -138.24 2.55 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -52.25 -177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.374 . . . . 0.0 110.93 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -83.05 19.51 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.9 t -100.04 141.94 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.457 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 5.1 mmpt? -81.36 -54.14 5.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 72' ' ' ASP . . . -145.06 179.16 7.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.048 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.937 ' HG3' HD11 ' A' ' 74' ' ' ILE . 26.0 mt-10 -131.49 140.93 49.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.778 HD12 ' SD ' ' A' ' 53' ' ' MET . 62.2 mt -53.51 145.04 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 70' ' ' ILE . 14.4 m -114.42 -44.82 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.448 ' CG ' ' O ' ' A' ' 85' ' ' SER . 91.7 m-85 -160.13 161.54 33.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.641 ' HA ' HD22 ' A' ' 69' ' ' LEU . 72.1 t -102.97 105.49 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.084 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.3 mt -66.74 150.44 49.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' LYS . 88.6 m -122.48 159.44 27.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' CYS . 21.0 mmmt -36.34 -45.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -64.03 -56.18 16.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 93' ' ' VAL . 2.1 t-160 -40.61 -62.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 92' ' ' HIS . 93.6 t -34.9 -54.94 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.51 -51.13 57.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.5 m -49.68 -65.8 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.485 HD21 ' HD3' ' A' ' 21' ' ' PRO . 39.9 mt -47.13 -44.16 21.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.483 ' NE2' ' CD2' ' A' ' 113' ' ' HIS . 67.9 mt-30 -59.6 -41.34 90.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.6 mmtm -69.37 -39.45 78.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -69.99 -20.68 63.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.87 39.66 6.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 48.5 m-85 -116.0 -42.59 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.523 ' CD2' ' HD2' ' A' ' 103' ' ' PRO . 61.7 t-105 -42.26 137.38 2.19 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.576 0.703 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.523 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 54.0 Cg_endo -69.72 168.67 20.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.724 2.283 . . . . 0.0 112.377 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -90.57 -30.23 17.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.15 -8.21 29.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -127.48 -2.94 6.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 m -59.69 -48.26 82.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -83.18 41.86 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.443 HG11 ' HZ ' ' A' ' 68' ' ' PHE . 52.5 t -128.19 -40.82 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -53.68 120.22 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -58.76 146.6 36.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 10.4 tptm 45.6 45.53 10.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.483 ' CD2' ' NE2' ' A' ' 97' ' ' GLN . 36.0 t60 -126.66 81.67 2.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 115' ' ' SER . 8.5 m120 -69.1 -54.01 17.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' ASN . 8.6 t -34.54 136.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 155.69 -157.69 27.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 0.71 5.24 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.262 . . . . 0.0 112.371 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -46.11 127.07 8.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.0 t -91.25 108.29 19.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.493 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.8 m -80.11 138.27 36.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.848 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.9 p 39.8 42.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.855 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.31 -120.03 6.49 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.1 m -76.21 166.82 22.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 71.6 p -86.35 121.73 29.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.87 -118.04 1.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 57.23 44.92 21.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.831 ' O ' HG23 ' A' ' 20' ' ' VAL . 56.8 t-80 -71.3 169.78 14.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.456 ' N ' ' CG ' ' A' ' 18' ' ' HIS . 84.8 mt -40.01 124.04 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 18' ' ' HIS . 80.9 t -138.3 132.68 16.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.623 0.725 . . . . 0.0 111.161 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.98 119.22 3.69 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.477 ' N ' ' HB2' ' A' ' 25' ' ' GLN . 39.2 m -54.24 -176.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -57.84 -47.55 82.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -82.32 -43.98 16.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.57 HE21 HG21 ' A' ' 70' ' ' ILE . 14.8 mt-30 -43.91 139.75 2.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.423 ' OE1' HG22 ' A' ' 43' ' ' THR . 8.2 pt20 -135.3 146.0 48.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.491 HD11 HD13 ' A' ' 96' ' ' LEU . 97.2 mt -89.03 118.87 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.015 HG21 HG21 ' A' ' 41' ' ' VAL . 29.0 m -123.18 176.6 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.482 ' HD3' ' CE1' ' A' ' 68' ' ' PHE . 25.8 ttp180 -124.4 142.76 51.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.784 ' HA ' HG12 ' A' ' 41' ' ' VAL . 57.3 t -75.95 148.55 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.432 ' CD1' ' HD3' ' A' ' 48' ' ' ARG . 49.4 mt -124.7 -60.24 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -151.86 142.15 22.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.722 HG22 ' H ' ' A' ' 35' ' ' GLY . 37.6 m -115.68 116.64 40.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.591 0.71 . . . . 0.0 111.157 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 3.03 2.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.722 ' H ' HG22 ' A' ' 33' ' ' THR . . . 96.04 -48.57 1.78 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -51.64 -174.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -81.59 40.71 0.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 52' ' ' SER . 79.1 mt -136.89 162.0 34.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.521 ' O ' HG22 ' A' ' 51' ' ' VAL . 56.1 m-70 -146.74 139.47 25.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -99.99 110.89 23.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 1.015 HG21 HG21 ' A' ' 28' ' ' VAL . 32.7 m -121.47 174.21 6.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -134.94 152.73 51.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.423 HG22 ' OE1' ' A' ' 26' ' ' GLN . 11.7 p -93.29 -179.58 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.08 -25.05 61.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -88.39 24.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.74 66.72 2.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -137.63 104.96 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.432 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 50.6 mtt180 -81.48 146.6 30.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.551 ' HZ ' HG11 ' A' ' 28' ' ' VAL . 33.8 p90 -167.6 172.45 9.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -107.11 153.33 22.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.667 HG11 HG11 ' A' ' 71' ' ' VAL . 30.2 m -131.25 166.76 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.618 ' OG ' HG21 ' A' ' 80' ' ' VAL . 1.4 m -116.81 162.35 17.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.768 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.0 tpt -96.09 130.36 31.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.714 . . . . 0.0 110.861 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.562 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 Cg_exo -48.02 141.93 16.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 0.0 112.335 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.3 m -59.76 -38.88 83.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.16 -8.32 58.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.893 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.562 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 3.5 m-30 -94.03 30.7 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -66.62 85.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -174.86 173.61 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -92.37 77.79 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.5 mt -68.2 145.46 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.161 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -74.92 101.56 4.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.6 mt -121.64 136.2 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -131.63 162.09 31.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 66' ' ' GLY . 14.7 ttt180 -64.45 145.98 55.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.475 ' N ' ' HG2' ' A' ' 65' ' ' ARG . . . 82.93 -32.66 2.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.545 ' O ' HG23 ' A' ' 30' ' ' VAL . 28.9 t0 -46.86 128.02 10.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.586 ' O ' HD23 ' A' ' 69' ' ' LEU . 24.5 m-85 -88.13 131.84 34.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 87' ' ' VAL . 11.4 mt -134.41 161.57 34.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.588 HD11 HD21 ' A' ' 88' ' ' LEU . 57.6 mt -100.69 109.52 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.667 HG11 HG11 ' A' ' 51' ' ' VAL . 20.2 m -101.18 147.25 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.517 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 8.7 t0 -120.59 128.69 25.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.643 0.735 . . . . 0.0 110.848 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 143.78 52.09 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.636 2.224 . . . . 0.0 112.342 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 1.001 HD11 ' HG3' ' A' ' 83' ' ' GLU . 8.3 mt -117.06 151.39 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -65.27 -177.25 0.38 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -38.25 121.5 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.4 -146.34 5.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -55.21 -174.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.917 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -83.69 22.12 1.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.618 HG21 ' OG ' ' A' ' 52' ' ' SER . 96.8 t -100.24 137.28 28.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.454 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 8.7 mmpt? -78.0 -62.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.517 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -137.42 177.02 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 1.001 ' HG3' HD11 ' A' ' 74' ' ' ILE . 19.2 mt-10 -131.09 145.49 52.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.768 HD12 ' SD ' ' A' ' 53' ' ' MET . 35.4 mt -54.69 139.74 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.9 m -114.16 -48.32 2.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -155.15 134.32 12.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.658 ' HA ' HD22 ' A' ' 69' ' ' LEU . 88.5 t -79.31 106.98 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.588 HD21 HD11 ' A' ' 70' ' ' ILE . 35.4 mt -67.31 125.48 26.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 59.0 m -98.29 162.01 13.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.468 ' HE3' ' N ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -40.51 -44.82 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -56.24 13.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 93' ' ' VAL . 3.2 t-160 -40.61 -60.64 1.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.637 HG22 ' CH2' ' A' ' 102' ' ' TRP . 91.9 t -35.33 -52.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.147 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.53 -49.68 72.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.9 m -48.84 -58.22 5.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.491 HD13 HD11 ' A' ' 27' ' ' ILE . 51.5 mt -56.26 -40.65 74.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -58.9 -46.71 87.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -62.27 -47.06 86.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -61.62 -28.85 69.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 96.63 31.5 7.05 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -108.41 -42.6 4.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.362 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.637 ' CH2' HG22 ' A' ' 93' ' ' VAL . 60.8 t-105 -40.0 138.07 1.13 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.566 0.698 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.3 Cg_endo -69.78 160.5 49.47 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 0.0 112.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -84.3 -40.77 17.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -52.84 -39.11 62.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.077 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -100.96 23.27 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.3 t -98.2 -44.12 6.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.48 37.72 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.43 HG11 HH12 ' A' ' 29' ' ' ARG . 17.9 m -127.75 -29.44 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.71 38.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -106.34 -56.86 2.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.3 ptmt -108.58 72.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -116.5 -43.63 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -70.0 98.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 45.2 m -69.96 117.52 11.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 145.52 83.76 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.428 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 161.03 47.49 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.678 2.252 . . . . 0.0 112.386 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.6 p -107.5 -27.69 10.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.0 t -75.43 99.68 4.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.443 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 t -92.41 88.58 6.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 110.884 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -115.22 125.5 53.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.66 86.96 1.92 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.451 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.6 t -73.78 94.42 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.834 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.2 m -97.59 101.21 12.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.818 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -126.86 98.19 0.5 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -63.21 164.33 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.753 ' O ' HG23 ' A' ' 20' ' ' VAL . 43.8 t-80 -166.59 171.73 11.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.7 mt -48.48 101.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 18' ' ' HIS . 98.5 t -121.45 136.08 25.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.641 0.734 . . . . 0.0 111.129 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD2' HG13 ' A' ' 20' ' ' VAL . 64.6 Cg_exo -47.94 120.81 5.14 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.686 2.257 . . . . 0.0 112.334 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.1 t -69.94 -177.54 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -63.08 -48.09 80.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -75.18 -42.51 55.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -56.52 169.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -162.27 147.53 12.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.424 HD11 ' HG2' ' A' ' 21' ' ' PRO . 89.8 mt -87.36 128.73 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.823 HG21 HG21 ' A' ' 41' ' ' VAL . 31.6 m -133.95 178.17 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.512 HH12 HG11 ' A' ' 109' ' ' VAL . 30.8 ttp180 -128.32 137.54 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.543 ' HA ' HG12 ' A' ' 41' ' ' VAL . 96.1 t -70.3 156.98 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.493 ' N ' HG12 ' A' ' 30' ' ' VAL . 26.0 mt -134.08 -47.25 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -169.01 146.28 3.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.657 HG22 ' H ' ' A' ' 35' ' ' GLY . 15.2 m -119.98 119.98 30.63 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.587 0.708 . . . . 0.0 111.167 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 1.37 4.45 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.666 2.244 . . . . 0.0 112.382 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.657 ' H ' HG22 ' A' ' 33' ' ' THR . . . 101.57 -48.34 1.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.467 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -52.16 -174.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.915 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -81.54 40.69 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.468 ' C ' ' CD2' ' A' ' 39' ' ' HIS . 26.3 mt -133.01 166.36 22.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.645 ' O ' HG22 ' A' ' 51' ' ' VAL . 45.1 m-70 -152.66 128.37 10.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.465 ' HG2' HD12 ' A' ' 31' ' ' LEU . 30.7 tt0 -87.6 111.64 21.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.821 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.823 HG21 HG21 ' A' ' 28' ' ' VAL . 26.1 m -120.42 171.23 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -130.01 155.34 46.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 p -98.29 -176.59 3.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.82 -28.15 63.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -87.0 26.27 1.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 53.36 62.1 6.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.46 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -129.91 110.87 12.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 110.952 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -82.4 145.64 29.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.799 ' CE1' HG23 ' A' ' 41' ' ' VAL . 19.0 p90 -167.5 173.21 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.7 mt -111.35 150.75 29.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.654 HG11 HG11 ' A' ' 71' ' ' VAL . 29.6 m -130.28 162.21 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 t -108.26 163.41 13.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.748 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.5 tpt -98.08 128.2 34.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.871 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.551 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 66.5 Cg_exo -48.06 157.49 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.9 t -75.43 -44.5 44.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.567 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.9 pttp -62.1 -20.3 63.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 13.5 m-30 -95.92 32.01 1.98 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 -63.48 77.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 57' ' ' TYR . 28.2 mttt -161.94 -175.27 4.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -100.11 79.64 2.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.501 HD12 ' CE ' ' A' ' 53' ' ' MET . 21.3 mt -71.35 137.52 23.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.407 ' CZ2' ' HD2' ' A' ' 64' ' ' LYS . 13.7 t-105 -77.36 101.66 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.504 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 57.1 mt -116.94 135.05 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.182 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HZ1' ' HA ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -121.39 174.08 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -78.73 139.45 38.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.56 -32.74 5.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -47.72 129.49 13.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.821 0.343 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.486 ' CE1' ' HD3' ' A' ' 29' ' ' ARG . 54.3 m-85 -88.25 123.08 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 87' ' ' VAL . 22.6 mt -126.8 159.07 34.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 85' ' ' SER . 75.5 mt -102.14 110.96 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.654 HG11 HG11 ' A' ' 51' ' ' VAL . 15.3 m -106.28 155.79 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.558 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 12.4 t0 -126.73 133.88 25.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 147.5 62.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.709 HD11 ' HG3' ' A' ' 83' ' ' GLU . 12.6 mt -118.84 146.08 23.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.172 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -59.3 -175.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -48.31 114.66 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -164.46 -136.14 1.95 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -57.31 -176.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.923 0.392 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.0 mttm -83.85 20.25 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 58.8 t -100.28 139.21 22.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.173 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.407 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 6.0 mmpt? -78.78 -56.16 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.558 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -143.17 -176.02 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.709 ' HG3' HD11 ' A' ' 74' ' ' ILE . 43.8 mt-10 -139.94 144.8 37.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.748 HD12 ' SD ' ' A' ' 53' ' ' MET . 44.0 mt -53.64 141.13 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.17 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.516 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 67.5 m -113.33 -41.7 3.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 85' ' ' SER . 96.4 m-85 -161.53 155.81 22.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.429 ' HA ' HD22 ' A' ' 69' ' ' LEU . 59.3 t -96.41 122.68 48.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.135 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.434 HD23 ' CE1' ' A' ' 92' ' ' HIS . 28.9 mt -87.02 147.1 25.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 90' ' ' LYS . 26.4 p -125.64 162.57 24.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 89' ' ' CYS . 14.8 tptp -34.36 -53.88 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 92' ' ' HIS . 4.8 t0 -62.36 -60.31 3.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t-160 -34.31 -59.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.661 HG22 ' CZ3' ' A' ' 102' ' ' TRP . 77.0 t -48.48 -45.07 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 91' ' ' ASP . 16.6 mmt180 -49.6 -43.49 46.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.8 m -65.87 -62.64 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 70.5 mt -43.36 -42.91 4.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -61.74 -45.58 93.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -66.25 -44.27 84.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -59.65 -29.12 67.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.38 40.93 4.08 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.529 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 102' ' ' TRP . 59.8 m-85 -119.65 -45.64 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.661 ' CZ3' HG22 ' A' ' 93' ' ' VAL . 61.7 t-105 -38.22 139.46 0.65 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.6 0.714 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.52 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.7 Cg_endo -69.8 170.96 15.41 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -94.16 -32.07 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.23 91.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -100.65 24.11 9.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.6 t -95.91 -38.14 10.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.837 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -83.46 40.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.512 HG11 HH12 ' A' ' 29' ' ' ARG . 21.3 m -131.08 -39.71 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.104 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.421 ' N ' HG23 ' A' ' 109' ' ' VAL . . . -81.79 -46.44 14.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -52.47 -51.85 57.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.2 tptt -112.23 79.41 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.437 ' CG ' ' N ' ' A' ' 114' ' ' ASN . 23.4 p-80 -109.54 -42.66 4.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.437 ' N ' ' CG ' ' A' ' 113' ' ' HIS . 0.2 OUTLIER -93.18 173.49 7.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 45.2 t -51.99 -44.0 63.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 60.74 122.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.477 ' O ' ' N ' ' A' ' 119' ' ' SER . 54.0 Cg_endo -69.72 -0.36 6.77 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.677 2.252 . . . . 0.0 112.348 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.6 m -48.17 90.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.477 ' N ' ' O ' ' A' ' 117' ' ' PRO . 98.4 p -61.53 135.86 57.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.926 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -76.07 -45.78 32.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.852 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.5 t -103.81 135.95 44.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.817 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.03 145.04 19.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.9 p -65.9 89.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.819 -179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.1 m 39.31 42.22 0.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.83 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.85 -64.15 3.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -126.69 162.16 26.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.368 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.49 ' O ' HG23 ' A' ' 20' ' ' VAL . 40.8 t-80 -66.32 172.44 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -49.98 119.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 18' ' ' HIS . 52.0 t -131.35 127.11 21.62 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.647 0.737 . . . . 0.0 111.134 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -47.98 123.28 8.41 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.689 2.259 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 t -78.72 -177.34 5.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -62.51 -36.32 82.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.926 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -81.76 -39.12 24.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.449 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 52.1 mt-30 -72.24 158.52 35.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -154.77 144.51 21.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.1 mt -88.98 136.52 23.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.098 HG21 HG21 ' A' ' 41' ' ' VAL . 26.8 m -143.25 171.28 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.525 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 9.4 ttt-85 -115.51 135.08 54.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.869 ' HA ' HG12 ' A' ' 41' ' ' VAL . 57.3 t -71.93 144.3 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.139 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.592 HD12 ' HG2' ' A' ' 40' ' ' GLU . 43.2 mt -114.41 -64.6 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' HD3' ' N ' ' A' ' 33' ' ' THR . 0.0 OUTLIER -152.81 144.92 23.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.614 HG22 ' H ' ' A' ' 35' ' ' GLY . 9.2 m -112.11 120.81 40.94 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.538 0.685 . . . . 0.0 111.184 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -10.75 29.38 Favored 'Trans proline' 0 N--CA 1.466 -0.134 0 C-N-CA 122.736 2.291 . . . . 0.0 112.345 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.614 ' H ' HG22 ' A' ' 33' ' ' THR . . . 115.75 -49.79 0.83 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.504 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -51.71 -174.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -81.4 40.54 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.725 HD23 ' HA ' ' A' ' 52' ' ' SER . 20.5 mt -133.88 169.81 16.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.778 ' O ' HG22 ' A' ' 51' ' ' VAL . 41.7 m-70 -154.75 134.4 12.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.592 ' HG2' HD12 ' A' ' 31' ' ' LEU . 23.0 tt0 -91.78 123.62 35.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 1.098 HG21 HG21 ' A' ' 28' ' ' VAL . 20.9 m -131.71 173.02 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.091 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -136.01 142.76 44.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.3 p -86.73 174.42 8.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.087 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.9 -23.14 64.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -89.63 24.08 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 58.06 61.71 7.13 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -130.72 103.53 6.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.7 mtt85 -86.25 142.46 28.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -168.74 179.16 4.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 mt -111.0 157.59 19.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.969 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 39' ' ' HIS . 29.3 m -138.5 150.43 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.725 ' HA ' HD23 ' A' ' 38' ' ' LEU . 5.0 t -99.53 164.17 12.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.799 ' SD ' HD12 ' A' ' 84' ' ' ILE . 6.0 tpt -97.23 130.63 29.2 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.594 0.711 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.495 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.5 Cg_exo -47.99 164.34 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.644 2.229 . . . . 0.0 112.394 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.8 m -80.45 -39.16 28.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.518 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 26.6 pttt -71.2 -15.29 62.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.518 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.1 m-30 -95.2 27.6 3.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -60.3 79.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 57' ' ' TYR . 15.3 tptt -175.06 137.33 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -60.5 87.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.1 mt -75.11 149.56 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 14.8 t-105 -78.27 101.54 7.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.492 ' CD1' ' CE1' ' A' ' 39' ' ' HIS . 53.8 mt -120.51 137.17 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -131.12 171.73 12.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -70.74 144.1 51.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.59 -23.74 9.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.46 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.48 ' O ' HG23 ' A' ' 30' ' ' VAL . 9.3 t0 -56.17 126.62 26.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.85 0.357 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.878 ' O ' HD23 ' A' ' 69' ' ' LEU . 81.9 m-85 -89.6 130.08 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.878 HD23 ' O ' ' A' ' 68' ' ' PHE . 12.0 mt -137.42 170.54 15.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 85' ' ' SER . 96.6 mt -111.42 119.76 60.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.712 HG11 HG11 ' A' ' 51' ' ' VAL . 6.0 m -114.45 150.99 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 0.3 OUTLIER -120.12 135.78 24.61 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.661 0.743 . . . . 0.0 110.877 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 151.01 68.9 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.359 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.937 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.3 mt -118.97 158.75 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 76' ' ' GLU . 6.3 pt-20 -82.3 176.55 9.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 75' ' ' GLU . 51.0 mm-40 -37.73 102.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -163.87 -125.78 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.94 168.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.17 18.55 0.84 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.1 t -99.98 134.64 38.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.153 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.474 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 9.3 mmpt? -69.55 -54.13 15.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.469 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -144.1 177.13 8.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.123 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.937 ' HG3' HD11 ' A' ' 74' ' ' ILE . 30.3 mt-10 -136.52 140.37 42.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.799 HD12 ' SD ' ' A' ' 53' ' ' MET . 53.9 mt -47.89 157.13 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.14 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.502 ' N ' HG22 ' A' ' 84' ' ' ILE . 9.4 m -131.99 -34.41 1.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 85' ' ' SER . 94.4 m-85 -161.36 168.09 24.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.9 t -111.71 105.99 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.496 HD23 ' CE1' ' A' ' 92' ' ' HIS . 17.8 mt -68.39 154.06 42.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' LYS . 69.0 m -132.88 162.07 32.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' CYS . 37.6 mttt -36.21 -51.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 92' ' ' HIS . 50.7 m-20 -60.16 -59.48 5.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.496 ' CE1' HD23 ' A' ' 88' ' ' LEU . 2.8 t-160 -35.76 -57.47 0.66 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.623 HG12 ' HG3' ' A' ' 97' ' ' GLN . 90.3 t -48.39 -48.18 13.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.4 mmm-85 -46.6 -35.87 6.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 98' ' ' LYS . 58.3 m -71.81 -73.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.9 mt -47.29 -22.11 0.37 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.623 ' HG3' HG12 ' A' ' 93' ' ' VAL . 0.4 OUTLIER -79.14 -36.78 39.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 7.3 ptpp? -81.85 -35.16 29.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 24.1 mt-10 -69.16 -19.79 64.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.32 38.94 6.52 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -115.21 -48.13 2.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.523 ' CD2' ' HD2' ' A' ' 103' ' ' PRO . 61.3 t-105 -39.64 138.57 0.98 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.523 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.5 Cg_endo -69.74 156.63 62.91 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -77.28 -48.14 18.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -46.24 -28.96 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.461 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 9.1 m-30 -101.56 -30.61 11.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.8 t -45.18 -29.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.06 28.67 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 106' ' ' PHE . 53.8 t -117.71 -39.79 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 111' ' ' GLU . . . -84.66 -62.64 1.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 110' ' ' ALA . 19.8 tp10 -36.15 -49.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -110.19 95.29 5.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -144.11 120.41 10.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -102.47 82.85 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.3 t -56.83 -57.96 10.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -172.93 -80.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 118.53 5.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.4 t -108.56 -52.39 2.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.0 m -87.13 151.49 23.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.8 t -119.11 92.38 3.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -97.03 148.86 22.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 56.92 110.41 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.521 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.4 t -88.6 149.38 23.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.903 0.383 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 46.5 m -98.33 111.57 23.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -151.99 -75.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -73.94 136.57 43.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.608 ' O ' HG23 ' A' ' 20' ' ' VAL . 54.2 t-80 -72.1 170.51 13.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 86.1 mt -47.71 124.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 18' ' ' HIS . 74.7 t -131.95 130.53 22.2 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.607 0.717 . . . . 0.0 111.151 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HD3' HD21 ' A' ' 96' ' ' LEU . 64.1 Cg_exo -47.94 123.1 8.1 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.359 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 m -67.57 174.91 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -60.15 -48.56 81.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -75.85 -37.11 59.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.648 HE21 HG21 ' A' ' 70' ' ' ILE . 7.9 mt-30 -64.07 161.24 16.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -154.76 149.23 26.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.5 mt -88.91 125.19 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.628 HG21 HG21 ' A' ' 41' ' ' VAL . 12.7 m -130.23 -179.66 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.453 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 17.8 ttt180 -125.99 134.99 51.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 67' ' ' ASP . 60.6 t -70.87 147.25 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.507 HD12 ' HG2' ' A' ' 40' ' ' GLU . 21.9 mt -119.44 -51.7 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 32' ' ' ARG . 4.8 ptp180 -168.05 156.26 8.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.571 HG22 ' H ' ' A' ' 35' ' ' GLY . 34.8 m -123.61 121.14 26.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 111.133 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -18.0 37.18 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.659 2.239 . . . . 0.0 112.333 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.571 ' H ' HG22 ' A' ' 33' ' ' THR . . . 122.24 -46.84 1.07 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.455 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -53.48 -174.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.624 ' O ' HD23 ' A' ' 38' ' ' LEU . 11.7 p-10 -81.34 40.61 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 37' ' ' ASN . 22.5 mt -135.6 169.88 16.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.661 ' O ' HG22 ' A' ' 51' ' ' VAL . 51.2 m-70 -152.05 132.26 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.507 ' HG2' HD12 ' A' ' 31' ' ' LEU . 26.2 tt0 -89.76 113.56 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.628 HG21 HG21 ' A' ' 28' ' ' VAL . 19.8 m -120.06 -175.71 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.461 ' HB3' HD11 ' A' ' 31' ' ' LEU . 6.1 pt-20 -145.89 147.88 32.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.473 ' HA ' HG12 ' A' ' 28' ' ' VAL . 12.0 p -89.63 178.35 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.09 -22.21 61.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.089 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -91.56 25.43 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 57.29 61.66 7.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -130.79 104.88 7.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.3 mtt180 -82.04 143.73 31.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.477 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 30.4 p90 -167.18 176.65 6.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -109.52 147.72 32.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.668 HG11 HG11 ' A' ' 71' ' ' VAL . 30.9 m -122.85 165.5 18.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.535 ' HB3' HG11 ' A' ' 80' ' ' VAL . 6.6 p -99.8 179.26 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.632 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.8 tpt -124.96 119.14 25.5 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.611 0.72 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_exo -47.98 162.29 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.722 2.281 . . . . 0.0 112.331 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.6 t -76.85 -47.44 21.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.56 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 31.8 pttt -60.46 -15.81 30.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.0 m-30 -95.48 30.26 2.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -67.15 80.37 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -175.02 -179.49 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.49 81.74 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.422 HG22 HG13 ' A' ' 63' ' ' ILE . 25.2 mt -70.77 150.36 9.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.482 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 26.0 t90 -76.73 87.07 3.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.422 HG13 HG22 ' A' ' 61' ' ' ILE . 47.1 mt -116.46 110.65 32.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.482 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 45.8 mtmt -120.66 172.05 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 56.0 ttt85 -66.31 125.92 27.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.453 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 111.4 -29.2 8.88 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.656 ' O ' HG23 ' A' ' 30' ' ' VAL . 5.5 t70 -64.65 125.92 26.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.815 ' O ' HD23 ' A' ' 69' ' ' LEU . 12.6 m-85 -89.01 136.27 33.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.815 HD23 ' O ' ' A' ' 68' ' ' PHE . 11.1 mt -140.31 154.91 46.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.967 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.648 HG21 HE21 ' A' ' 25' ' ' GLN . 66.6 mt -94.42 119.0 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.668 HG11 HG11 ' A' ' 51' ' ' VAL . 17.7 m -111.32 150.94 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.488 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 0.3 OUTLIER -116.82 126.18 27.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.719 . . . . 0.0 110.871 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 147.11 62.35 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.314 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.907 HD11 ' CG ' ' A' ' 83' ' ' GLU . 10.5 mt -121.19 149.59 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -67.09 -178.87 0.85 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -42.01 113.61 0.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.41 -134.81 1.78 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -53.76 175.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.925 0.393 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.5 18.53 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.535 HG11 ' HB3' ' A' ' 52' ' ' SER . 88.3 t -100.21 140.97 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.475 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 10.7 mmpt? -76.34 -66.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.488 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -132.32 178.02 7.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.907 ' CG ' HD11 ' A' ' 74' ' ' ILE . 8.3 mt-10 -128.22 136.9 51.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.632 HD12 ' SD ' ' A' ' 53' ' ' MET . 72.1 mt -52.56 147.94 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 70' ' ' ILE . 4.2 m -122.0 -45.95 2.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -154.26 164.03 39.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.633 ' HA ' HD22 ' A' ' 69' ' ' LEU . 62.6 t -107.82 104.59 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 19.5 mt -67.43 145.09 55.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.406 ' O ' ' C ' ' A' ' 90' ' ' LYS . 2.3 t -121.89 162.15 21.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 89' ' ' CYS . 62.8 mttp -36.97 -43.96 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 92' ' ' HIS . 1.4 p-10 -66.78 -61.39 1.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.876 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.419 ' O ' ' C ' ' A' ' 93' ' ' VAL . 3.4 t-160 -36.96 -59.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 94' ' ' ARG . 58.4 t -36.29 -70.72 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 93' ' ' VAL . 1.8 mpt_? -36.2 -47.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -51.09 -64.84 0.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.405 HD21 ' HD3' ' A' ' 21' ' ' PRO . 40.8 mt -51.2 -41.81 60.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -56.58 -52.13 65.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -66.28 -33.46 75.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -69.16 -24.16 64.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 91.11 38.81 5.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -120.11 -45.37 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.524 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 58.6 t-105 -40.15 139.3 1.04 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.75 -172.69 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.623 2.216 . . . . 0.0 112.36 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -105.94 -41.6 5.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.0 -34.66 63.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.068 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.402 ' HB3' ' CE1' ' A' ' 68' ' ' PHE . 3.9 m-85 -102.09 17.16 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.8 t -95.7 -31.55 13.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -91.79 23.57 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.0 m -118.49 -19.37 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.47 -54.43 2.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.108 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -40.75 -52.02 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -92.16 88.12 6.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -171.67 128.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -83.63 102.51 12.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 80.6 p -77.52 -49.66 14.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -162.03 -170.97 27.52 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.548 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 92.61 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.653 2.235 . . . . 0.0 112.38 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.7 m -40.02 111.71 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.0 p -47.89 123.47 6.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.869 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 m 53.53 42.27 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.2 m -45.21 106.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.72 -58.65 0.4 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.6 p 44.81 40.62 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 m -83.29 -58.51 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -179.54 -62.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -61.11 110.95 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.791 ' O ' HG23 ' A' ' 20' ' ' VAL . 60.7 t-80 -71.49 168.13 18.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.42 ' N ' ' ND1' ' A' ' 18' ' ' HIS . 84.0 mt -43.35 129.04 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.127 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 18' ' ' HIS . 59.3 t -139.13 139.14 22.29 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.603 0.716 . . . . 0.0 111.165 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.598 ' HD2' HG13 ' A' ' 20' ' ' VAL . 65.1 Cg_exo -47.92 121.98 6.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.314 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.672 ' H ' ' NE2' ' A' ' 25' ' ' GLN . 7.4 t -62.2 174.91 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.438 ' C ' ' OD1' ' A' ' 23' ' ' ASN . 29.6 t-20 -54.95 -52.82 61.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -75.15 -37.11 61.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.672 ' NE2' ' H ' ' A' ' 22' ' ' SER . 11.8 mt-30 -53.12 167.87 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -159.8 148.84 17.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.463 HD11 HD13 ' A' ' 96' ' ' LEU . 96.1 mt -91.75 117.54 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.959 HG21 HG21 ' A' ' 41' ' ' VAL . 19.1 m -125.12 175.13 7.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.491 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 55.1 ttp180 -123.17 129.49 51.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.81 ' HA ' HG12 ' A' ' 41' ' ' VAL . 18.1 t -64.03 150.22 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.485 HD12 ' HG2' ' A' ' 40' ' ' GLU . 25.1 mt -121.48 -59.16 1.72 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -160.71 134.86 7.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.623 HG22 ' H ' ' A' ' 35' ' ' GLY . 9.0 m -104.37 120.72 49.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.589 0.709 . . . . 0.0 111.131 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -0.86 7.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.623 ' H ' HG22 ' A' ' 33' ' ' THR . . . 105.08 -50.56 0.83 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.485 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -52.2 -174.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.926 0.394 . . . . 0.0 110.861 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' O ' HD23 ' A' ' 38' ' ' LEU . 29.7 p30 -81.23 40.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.508 ' O ' ' CD2' ' A' ' 39' ' ' HIS . 20.1 mt -134.85 166.9 21.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 38' ' ' LEU . 42.3 m-70 -153.06 137.54 16.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' HG2' HD12 ' A' ' 31' ' ' LEU . 37.4 tt0 -96.46 110.78 23.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.959 HG21 HG21 ' A' ' 28' ' ' VAL . 19.9 m -120.88 170.58 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -133.48 146.39 51.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -88.47 -178.87 5.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.84 -19.53 60.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -91.81 24.13 3.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.19 61.68 7.18 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -133.79 108.31 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.777 0.323 . . . . 0.0 110.994 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -85.42 144.42 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.464 ' HZ ' HG11 ' A' ' 28' ' ' VAL . 20.1 p90 -167.67 173.34 8.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -107.09 155.93 19.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.484 HG11 HG11 ' A' ' 71' ' ' VAL . 19.3 m -139.13 147.35 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.7 t -93.96 163.89 13.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.751 ' SD ' HD12 ' A' ' 84' ' ' ILE . 4.9 tpt -96.34 132.27 26.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.496 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.6 Cg_exo -48.02 143.84 13.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.703 2.268 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.2 m -64.21 -8.69 13.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.627 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -93.19 -39.68 10.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.627 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 22.1 m-30 -82.26 38.33 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -64.22 76.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 57' ' ' TYR . 21.8 ttmt -175.96 137.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -55.56 89.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.836 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 62' ' ' TRP . 21.3 mt -76.34 153.65 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.468 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 28.3 t90 -78.29 88.09 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.948 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 56.1 mt -117.46 116.46 51.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 34.4 mtmt -115.45 171.65 7.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.26 146.57 50.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.48 -30.51 8.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 30' ' ' VAL . 7.2 t0 -65.48 134.06 52.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.35 . . . . 0.0 110.832 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.491 ' CE1' ' HB2' ' A' ' 29' ' ' ARG . 71.5 m-85 -94.89 123.3 38.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 87' ' ' VAL . 11.9 mt -124.55 162.29 24.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.544 HG21 HE21 ' A' ' 25' ' ' GLN . 93.1 mt -104.44 116.3 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 84' ' ' ILE . 12.8 m -113.23 157.1 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.442 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 10.4 t70 -125.76 135.66 27.32 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.607 0.718 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 154.48 67.65 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.948 HD11 ' HG3' ' A' ' 83' ' ' GLU . 11.6 mt -124.19 153.0 30.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.115 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 76' ' ' GLU . 4.7 pt-20 -72.37 173.23 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 75' ' ' GLU . 34.9 mt-10 -35.7 111.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -163.15 -137.1 2.11 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -58.45 -174.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 0.0 110.924 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 mttp -83.17 21.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.9 t -100.16 138.11 25.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.466 ' N ' ' HE3' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -82.98 -50.87 8.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.442 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -145.91 178.71 7.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.129 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.948 ' HG3' HD11 ' A' ' 74' ' ' ILE . 17.6 mt-10 -136.24 139.77 42.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.751 HD12 ' SD ' ' A' ' 53' ' ' MET . 64.8 mt -50.05 156.76 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.539 ' O ' ' CG ' ' A' ' 86' ' ' PHE . 20.0 m -129.05 -43.69 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.539 ' CG ' ' O ' ' A' ' 85' ' ' SER . 92.5 m-85 -162.95 153.07 16.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.441 ' HA ' HD22 ' A' ' 69' ' ' LEU . 90.3 t -95.02 107.64 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.446 HD21 HD11 ' A' ' 70' ' ' ILE . 29.1 mt -66.03 146.77 54.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 33.6 m -122.16 171.86 8.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -42.35 -61.09 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 94' ' ' ARG . 8.8 m-20 -54.56 -58.98 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.6 t-160 -36.47 -59.49 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.489 HG22 ' CH2' ' A' ' 102' ' ' TRP . 71.8 t -48.44 -38.17 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 91' ' ' ASP . 17.7 mmt180 -59.51 -47.89 83.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' LYS . 26.4 m -60.03 -66.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.463 HD13 HD11 ' A' ' 27' ' ' ILE . 95.9 mt -41.87 -44.02 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -60.88 -35.64 77.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 95' ' ' SER . 4.8 mmmm -77.36 -47.51 19.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -59.14 -26.15 64.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.87 45.01 3.47 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -121.29 -38.06 2.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.524 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 50.5 t-105 -47.11 139.14 7.36 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 121.602 0.715 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.6 Cg_endo -69.78 -174.54 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.673 2.248 . . . . 0.0 112.345 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -107.39 -38.95 5.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.845 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.59 -8.45 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.073 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.636 ' O ' HG22 ' A' ' 109' ' ' VAL . 13.4 m-85 -126.17 10.95 7.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.7 m -87.23 -35.23 18.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -86.87 38.61 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.636 HG22 ' O ' ' A' ' 106' ' ' PHE . 16.9 m -129.58 -38.22 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.1 -42.13 48.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -56.0 138.31 49.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.7 tttp 45.55 43.85 9.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.426 ' CG ' ' N ' ' A' ' 114' ' ' ASN . 11.7 p80 -63.65 -49.74 72.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.426 ' N ' ' CG ' ' A' ' 113' ' ' HIS . 67.3 m-20 -93.23 90.02 6.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.9 t -102.54 134.52 45.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 124.67 -115.11 2.39 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 118' ' ' SER . 54.0 Cg_endo -69.79 -9.9 27.21 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.609 2.206 . . . . 0.0 112.352 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 117' ' ' PRO . 46.5 t -34.92 120.08 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m -151.51 151.96 32.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.427 -179.934 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.4 t -107.14 -50.13 3.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.3 p -147.35 163.93 34.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -148.43 -148.63 4.79 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.3 m -147.64 167.15 25.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.384 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.5 p -108.94 7.69 26.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -137.9 70.52 0.48 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -98.39 -3.1 37.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.57 ' O ' HG23 ' A' ' 20' ' ' VAL . 52.0 t-80 -103.55 170.94 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 76.2 mt -49.79 114.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 18' ' ' HIS . 67.5 t -130.54 132.56 24.06 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -48.0 119.36 3.83 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.657 2.238 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.7 p -74.6 178.57 5.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -28.35 69.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -92.3 -36.9 12.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.659 HE21 HG21 ' A' ' 70' ' ' ILE . 13.2 mt-30 -70.91 159.95 33.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -151.58 150.49 30.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.4 mt -93.59 124.24 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.779 HG21 HG21 ' A' ' 41' ' ' VAL . 16.1 m -129.29 172.31 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 22.0 ttt180 -119.45 130.37 55.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.728 ' HA ' HG12 ' A' ' 41' ' ' VAL . 92.1 t -68.25 137.58 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.15 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 42' ' ' GLU . 22.2 mt -109.19 -53.58 2.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -162.74 161.21 26.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.541 HG22 ' H ' ' A' ' 35' ' ' GLY . 15.5 m -133.42 123.87 17.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.585 0.707 . . . . 0.0 111.13 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -20.32 35.13 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.541 ' H ' HG22 ' A' ' 33' ' ' THR . . . 127.62 -49.22 0.93 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -51.75 -174.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.55 ' O ' HD23 ' A' ' 38' ' ' LEU . 9.4 p-10 -81.33 40.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 37' ' ' ASN . 19.1 mt -134.8 164.78 26.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.592 ' CE1' HG21 ' A' ' 63' ' ' ILE . 40.9 m-70 -151.16 138.49 19.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -95.03 109.96 21.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.779 HG21 HG21 ' A' ' 28' ' ' VAL . 28.8 m -116.77 170.39 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.518 ' HB3' HD11 ' A' ' 31' ' ' LEU . 8.5 pt-20 -134.92 148.24 50.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.7 p -90.93 -176.27 4.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.492 ' HA ' ' HB3' ' A' ' 105' ' ' ALA . . . -75.76 -23.77 55.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -90.39 25.78 2.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.54 62.22 6.6 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -130.74 103.3 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.768 0.318 . . . . 0.0 110.923 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.419 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 51.4 mtt180 -82.49 143.01 31.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.672 ' HZ ' HG11 ' A' ' 28' ' ' VAL . 43.3 p90 -167.05 173.41 9.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.6 mt -108.81 155.89 20.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.473 HG11 HG11 ' A' ' 71' ' ' VAL . 35.8 m -137.13 150.1 26.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -93.58 170.84 9.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.716 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.4 tpt -108.77 128.45 25.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.702 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.558 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 64.8 Cg_exo -47.94 162.12 0.3 Allowed 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.9 t -80.02 -38.47 31.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 6.8 pttp -70.02 -15.76 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 12.7 m-30 -97.72 28.87 3.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.81 81.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -173.5 178.8 2.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -88.54 91.75 8.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' A' ' 62' ' ' TRP . 17.7 mt -86.8 153.44 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.441 ' CZ2' ' HE2' ' A' ' 64' ' ' LYS . 18.4 t-105 -74.73 92.95 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.974 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.592 HG21 ' CE1' ' A' ' 39' ' ' HIS . 52.2 mt -120.43 120.24 62.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' HE2' ' CZ2' ' A' ' 62' ' ' TRP . 19.2 mtmt -141.17 178.37 7.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 -71.36 148.08 47.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.428 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 81.24 -6.69 62.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.464 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.25 123.67 28.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.825 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.854 ' O ' HD23 ' A' ' 69' ' ' LEU . 31.6 m-85 -88.73 130.11 35.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.854 HD23 ' O ' ' A' ' 68' ' ' PHE . 12.1 mt -142.61 150.16 39.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.659 HG21 HE21 ' A' ' 25' ' ' GLN . 89.1 mt -89.28 131.09 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.473 HG11 HG11 ' A' ' 51' ' ' VAL . 4.6 m -126.78 151.89 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.168 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.597 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 7.4 t70 -120.62 137.03 25.81 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.645 0.736 . . . . 0.0 110.88 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 149.54 66.71 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.678 2.252 . . . . 0.0 112.298 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.976 HD11 ' CG ' ' A' ' 83' ' ' GLU . 5.8 mt -114.64 159.54 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.416 ' N ' HG22 ' A' ' 74' ' ' ILE . 2.9 pt-20 -77.41 175.88 9.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -45.68 95.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -143.48 -115.58 1.07 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -77.92 -174.64 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -83.21 22.33 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 84.8 t -100.06 137.19 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.458 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 2.8 mmpt? -76.04 -57.39 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.597 ' HB1' ' O ' ' A' ' 72' ' ' ASP . . . -141.13 177.26 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.08 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.976 ' CG ' HD11 ' A' ' 74' ' ' ILE . 3.5 mt-10 -129.45 132.67 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.716 HD12 ' SD ' ' A' ' 53' ' ' MET . 73.9 mt -45.91 146.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.188 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 71.7 m -119.03 -46.67 2.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -153.41 168.74 25.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.614 ' HA ' HD22 ' A' ' 69' ' ' LEU . 95.3 t -111.43 112.59 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 40.1 mt -75.38 143.17 42.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 1.8 m -116.47 172.29 7.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -48.42 -42.84 33.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 92' ' ' HIS . 0.2 OUTLIER -70.4 -57.83 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 179.844 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.6 t-160 -37.66 -57.33 0.98 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.405 HG22 ' CZ3' ' A' ' 102' ' ' TRP . 65.7 t -45.52 -40.2 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 91' ' ' ASP . 20.6 mmt180 -53.73 -53.89 45.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 98' ' ' LYS . 71.2 m -52.73 -69.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 51.9 mt -38.09 -42.04 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.944 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -63.86 -44.71 92.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 95' ' ' SER . 13.0 ptmt -79.1 -14.07 59.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.938 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -85.8 -18.04 34.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.85 33.7 17.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -119.25 -41.92 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.9 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.523 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 60.9 t-105 -43.02 139.45 2.18 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.586 0.708 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.9 Cg_endo -69.78 -163.89 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -115.06 -39.23 3.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -58.92 -18.78 36.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -114.66 17.31 17.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.9 t -100.28 -31.65 11.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -91.52 11.54 23.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.5 m -107.78 -17.13 8.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -104.36 89.79 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 113' ' ' HIS . 5.2 mm-40 -120.92 96.28 5.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 111' ' ' GLU . 12.2 ptmm? 35.19 31.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 111' ' ' GLU . 3.3 t-160 -51.63 -53.59 36.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.808 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -60.83 133.73 56.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.9 t -68.76 130.25 42.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 138.49 148.34 5.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 167.28 24.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.649 2.233 . . . . 0.0 112.337 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.0 p -37.02 -47.78 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.4 t -70.28 -54.76 11.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 63.7 m -134.02 92.81 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 92.3 p -67.64 -49.13 64.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.86 113.22 1.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.2 m -134.77 154.77 51.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.909 0.385 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -123.34 150.06 44.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.97 -76.47 0.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -37.46 124.51 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.912 0.387 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.672 ' O ' HG23 ' A' ' 20' ' ' VAL . 48.4 t-80 -96.7 170.03 9.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.414 ' N ' ' CG ' ' A' ' 18' ' ' HIS . 76.8 mt -46.14 112.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 18' ' ' HIS . 77.8 t -133.27 134.5 24.13 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.624 0.726 . . . . 0.0 111.1 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.498 ' HG2' HD11 ' A' ' 27' ' ' ILE . 64.2 Cg_exo -47.92 122.93 7.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.0 m -71.84 173.06 8.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -56.55 -48.07 78.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.449 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 20.7 mt-30 -71.78 -38.38 70.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -65.31 173.83 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -165.35 150.47 9.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.498 HD11 ' HG2' ' A' ' 21' ' ' PRO . 77.7 mt -91.44 135.15 27.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.781 HG21 HG21 ' A' ' 41' ' ' VAL . 17.6 m -141.49 162.39 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.45 ' HB2' ' CD1' ' A' ' 68' ' ' PHE . 26.1 ttp180 -109.0 138.01 46.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 67' ' ' ASP . 92.5 t -71.87 150.66 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' CD1' ' HD3' ' A' ' 48' ' ' ARG . 43.8 mt -125.04 -61.83 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -150.82 177.54 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.49 HG22 ' H ' ' A' ' 35' ' ' GLY . 3.0 m -146.62 120.87 5.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.525 0.679 . . . . 0.0 111.139 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -5.94 17.45 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.23 . . . . 0.0 112.332 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.49 ' H ' HG22 ' A' ' 33' ' ' THR . . . 111.73 -47.14 1.07 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -56.59 -174.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -81.5 40.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 33' ' ' THR . 15.6 mt -132.54 167.7 19.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.927 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.658 ' CE1' HD13 ' A' ' 63' ' ' ILE . 61.9 m-70 -153.28 140.82 19.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -95.37 103.1 14.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.781 HG21 HG21 ' A' ' 28' ' ' VAL . 33.7 m -108.03 169.16 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -133.32 146.87 51.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.0 p -89.02 175.03 7.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.504 ' HB2' ' HB2' ' A' ' 103' ' ' PRO . . . -72.29 -20.12 61.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -91.31 24.06 3.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 59.6 62.63 5.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -136.27 105.58 6.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.45 ' HD3' ' CD1' ' A' ' 31' ' ' LEU . 39.0 mtt85 -85.85 142.92 28.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.422 ' CZ ' HG23 ' A' ' 41' ' ' VAL . 24.2 p90 -167.17 173.14 9.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.28 156.86 17.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.663 HG11 HG11 ' A' ' 71' ' ' VAL . 33.6 m -136.85 151.31 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.428 ' HB2' HG11 ' A' ' 80' ' ' VAL . 0.9 OUTLIER -97.14 162.37 13.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.537 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.9 tpt -95.87 131.47 29.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.546 0.689 . . . . 0.0 110.871 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.527 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 66.1 Cg_exo -48.02 160.65 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.317 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.4 t -83.17 -15.99 48.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.555 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 14.7 pttm -93.47 -15.43 25.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.555 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.4 m-30 -93.64 23.33 4.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.948 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -57.99 79.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 57' ' ' TYR . 36.5 mttt -166.15 -176.43 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -99.19 84.43 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.427 HD12 ' CE ' ' A' ' 53' ' ' MET . 22.7 mt -79.82 136.93 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.16 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.578 ' CZ2' ' NZ ' ' A' ' 64' ' ' LYS . 7.4 t90 -74.81 86.97 2.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.658 HD13 ' CE1' ' A' ' 39' ' ' HIS . 72.8 mt -95.99 140.54 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.578 ' NZ ' ' CZ2' ' A' ' 62' ' ' TRP . 0.0 OUTLIER -138.02 -177.36 4.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -82.57 143.31 31.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 91.81 -41.3 2.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 30' ' ' VAL . 4.5 t0 -43.01 119.81 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.462 ' O ' HD23 ' A' ' 69' ' ' LEU . 30.9 m-85 -88.68 130.22 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.589 HD22 ' HA ' ' A' ' 87' ' ' VAL . 13.6 mt -130.39 170.0 14.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.477 ' O ' ' N ' ' A' ' 85' ' ' SER . 70.3 mt -109.72 114.29 46.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.663 HG11 HG11 ' A' ' 51' ' ' VAL . 14.6 m -109.24 151.93 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.484 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 32.9 t70 -119.29 133.13 23.76 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.605 0.717 . . . . 0.0 110.842 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.449 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 54.0 Cg_endo -69.75 148.09 64.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.865 HD11 ' HG3' ' A' ' 83' ' ' GLU . 12.0 mt -119.98 154.35 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.73 171.75 9.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -37.2 110.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.03 -133.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.67 -174.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.947 0.403 . . . . 0.0 110.909 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.64 19.19 1.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.428 HG11 ' HB2' ' A' ' 52' ' ' SER . 87.8 t -100.18 137.73 26.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.45 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 8.7 mmpt? -82.09 -48.12 11.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.484 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -151.22 174.78 12.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.865 ' HG3' HD11 ' A' ' 74' ' ' ILE . 55.4 mt-10 -129.85 139.54 51.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.537 HD12 ' SD ' ' A' ' 53' ' ' MET . 62.7 mt -46.49 157.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.062 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.547 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 40.3 m -129.62 -41.06 1.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.547 ' CD2' ' O ' ' A' ' 85' ' ' SER . 89.4 m-85 -163.05 166.13 23.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.589 ' HA ' HD22 ' A' ' 69' ' ' LEU . 69.6 t -106.81 108.46 25.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 13.2 mt -74.7 133.25 42.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.426 ' O ' HG23 ' A' ' 93' ' ' VAL . 82.2 m -103.68 170.12 8.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -44.08 -44.45 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -66.47 -61.6 1.91 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.84 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 93' ' ' VAL . 3.2 t-160 -38.55 -58.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.447 HG13 ' CH2' ' A' ' 102' ' ' TRP . 99.4 t -36.48 -53.37 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.5 mpt_? -54.67 -58.14 8.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.6 m -40.57 -60.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.8 mt -53.11 -41.01 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -63.29 -44.15 95.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -67.92 -37.02 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -67.87 -28.56 67.64 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 97.67 39.0 4.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.422 ' O ' ' C ' ' A' ' 102' ' ' TRP . 75.1 m-85 -119.7 -48.13 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.522 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 61.2 t-105 -36.86 139.47 0.47 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.543 0.687 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.522 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.8 148.06 63.97 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.64 2.226 . . . . 0.0 112.35 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -70.44 -45.27 66.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 44' ' ' ALA . . . -48.48 -28.9 3.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.097 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.452 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 7.1 m-30 -104.83 -27.79 11.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.0 t -48.31 -29.25 3.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -90.15 24.54 2.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 106' ' ' PHE . 62.9 t -116.37 -40.82 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -93.17 41.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.055 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -124.47 110.16 14.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 15.2 pttp 40.51 33.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -90.43 93.9 9.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -113.08 108.37 17.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.4 m -145.15 155.04 43.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 155.0 -158.57 28.44 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 2.53 3.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.639 2.226 . . . . 0.0 112.383 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.2 t 62.59 45.55 6.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.5 t -65.31 -60.91 2.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 11' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' GLY . 3.5 m -37.39 -50.83 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 0.0 110.832 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.6 t -87.06 116.78 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.24 117.01 5.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.7 t -93.51 86.05 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.895 0.378 . . . . 0.0 110.848 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 m -161.57 134.08 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 168.05 -125.43 1.29 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -39.37 147.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.832 ' O ' HG23 ' A' ' 20' ' ' VAL . 54.0 t-80 -146.05 162.73 37.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 18' ' ' HIS . 94.3 mt -35.51 110.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 18' ' ' HIS . 44.4 t -130.09 131.17 23.28 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 111.128 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.426 ' HG3' ' CD1' ' A' ' 70' ' ' ILE . 65.4 Cg_exo -47.95 119.33 3.78 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.346 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.4 t -63.02 162.72 10.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -49.52 -40.47 37.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -79.17 -37.86 37.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.598 HE21 HG21 ' A' ' 70' ' ' ILE . 16.1 mt-30 -61.74 165.39 5.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -158.34 145.79 18.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.972 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 67.9 mt -87.23 134.99 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.99 HG21 HG21 ' A' ' 41' ' ' VAL . 19.2 m -139.8 176.85 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -123.67 133.18 53.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.783 ' HA ' HG12 ' A' ' 41' ' ' VAL . 76.6 t -66.86 155.82 7.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.474 ' N ' HG12 ' A' ' 30' ' ' VAL . 16.2 mt -130.68 -54.15 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.6 ttp85 -162.66 145.54 10.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.856 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.524 HG22 ' H ' ' A' ' 35' ' ' GLY . 4.6 m -119.81 120.67 30.29 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.545 0.688 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -1.69 8.89 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.711 2.274 . . . . 0.0 112.329 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.524 ' H ' HG22 ' A' ' 33' ' ' THR . . . 104.83 -46.76 1.14 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.533 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -54.7 -174.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -81.08 40.7 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 33' ' ' THR . 32.6 mt -133.5 162.78 30.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.452 ' O ' HG22 ' A' ' 51' ' ' VAL . 58.5 m-70 -149.63 138.48 21.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' HG2' HD12 ' A' ' 31' ' ' LEU . 30.1 tt0 -98.26 114.7 27.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.99 HG21 HG21 ' A' ' 28' ' ' VAL . 19.4 m -126.06 174.29 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -134.82 150.67 50.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 7.7 p -93.29 -179.38 5.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.66 -23.9 62.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.141 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -90.12 23.99 2.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.29 62.04 6.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -131.46 105.07 7.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.326 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.467 ' HD3' HD13 ' A' ' 31' ' ' LEU . 32.0 mtt180 -83.36 145.82 28.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -169.26 175.82 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.5 mt -107.26 156.0 19.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.715 HG11 HG11 ' A' ' 71' ' ' VAL . 35.8 m -137.82 146.53 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 t -94.92 159.89 14.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.743 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.1 tpt -96.94 130.79 29.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.1 Cg_exo -47.99 163.51 0.22 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 66.5 p -83.32 -21.25 33.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.59 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 12.8 pttt -84.75 -25.22 28.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.59 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 15.6 m-30 -89.66 37.42 0.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -69.15 75.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -159.66 -175.0 4.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.98 79.38 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.442 HD12 ' CE ' ' A' ' 53' ' ' MET . 24.1 mt -69.89 141.54 17.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.455 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 21.4 t90 -79.14 87.24 4.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.954 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.421 HG13 HG22 ' A' ' 61' ' ' ILE . 50.4 mt -110.72 111.73 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.089 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 5.3 mtmp? -114.61 -178.87 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.3 tpt85 -68.16 146.68 53.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 83.49 -34.64 2.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.555 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.555 ' O ' HG23 ' A' ' 30' ' ' VAL . 25.4 m-20 -50.02 120.2 4.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.636 ' O ' HD23 ' A' ' 69' ' ' LEU . 13.9 m-85 -88.35 138.08 31.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 68' ' ' PHE . 18.2 mt -141.0 163.98 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.598 HG21 HE21 ' A' ' 25' ' ' GLN . 66.9 mt -104.65 125.85 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.715 HG11 HG11 ' A' ' 51' ' ' VAL . 16.1 m -119.43 156.44 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.138 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.493 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 0.2 OUTLIER -123.78 133.76 24.85 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.57 0.7 . . . . 0.0 110.89 179.861 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 148.9 65.72 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.621 2.214 . . . . 0.0 112.349 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.94 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.1 mt -118.19 155.06 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -76.26 179.83 5.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -41.91 98.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -147.44 -121.25 1.24 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.463 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -74.95 -174.96 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.98 20.32 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 75.2 t -100.17 140.15 19.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.461 ' HE2' ' N ' ' A' ' 81' ' ' LYS . 6.4 mmpt? -79.66 -51.54 9.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.493 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -147.44 179.06 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.12 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.94 ' HG3' HD11 ' A' ' 74' ' ' ILE . 27.2 mt-10 -135.21 139.15 44.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.743 HD12 ' SD ' ' A' ' 53' ' ' MET . 67.2 mt -50.21 151.26 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ILE . 14.1 m -124.85 -43.69 1.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -153.33 161.51 42.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.63 ' HA ' HD22 ' A' ' 69' ' ' LEU . 96.6 t -105.93 107.04 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 27.4 mt -70.93 157.51 38.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.581 ' O ' HG23 ' A' ' 93' ' ' VAL . 99.2 m -137.71 176.56 8.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -49.02 -43.44 40.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 92' ' ' HIS . 40.9 m-20 -68.28 -64.21 0.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.9 t-160 -36.72 -58.37 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 89' ' ' CYS . 70.7 t -42.4 -40.32 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 91' ' ' ASP . 8.6 mmm180 -59.56 -49.27 78.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.4 t -55.86 -64.24 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 71.6 mt -45.18 -43.34 9.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -58.86 -51.9 68.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -61.89 -45.84 91.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -59.33 -26.81 65.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.24 41.87 4.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -120.25 -42.04 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.533 ' CG ' ' HD2' ' A' ' 103' ' ' PRO . 54.0 t-105 -42.64 139.42 2.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.533 ' HD2' ' CG ' ' A' ' 102' ' ' TRP . 53.5 Cg_endo -69.77 -178.84 2.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -101.75 -46.37 4.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -51.56 -34.8 38.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -102.69 24.44 10.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 t -103.73 -34.27 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -86.99 23.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.3 m -120.06 -17.37 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.164 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -110.56 77.03 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 112' ' ' LYS . 31.6 tt0 -129.69 132.24 46.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 111' ' ' GLU . 7.7 mmmm 35.78 46.75 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -87.13 87.91 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -79.15 107.18 11.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 76.4 p -130.74 124.56 31.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 97.47 146.18 20.39 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 112.37 3.06 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.1 m -80.83 143.18 32.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.9 t -62.08 116.72 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 m 40.29 45.13 1.73 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.7 m -62.06 132.35 52.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.78 85.71 0.17 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t -130.39 151.55 50.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 110.893 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 86.7 p -51.43 116.19 1.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.7 153.2 10.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -53.22 -48.33 68.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.423 ' O ' HG23 ' A' ' 20' ' ' VAL . 57.3 t-80 -115.78 166.61 11.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.3 mt -50.1 117.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 18' ' ' HIS . 39.6 t -129.06 130.84 23.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.641 0.734 . . . . 0.0 111.128 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HD3' HD21 ' A' ' 96' ' ' LEU . 65.0 Cg_exo -47.95 125.62 11.81 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m -76.03 174.65 9.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.443 ' ND2' ' H ' ' A' ' 23' ' ' ASN . 5.3 m-80 -55.84 -46.69 78.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.437 ' O ' ' CD ' ' A' ' 73' ' ' PRO . 9.7 mt-30 -75.17 -43.99 49.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.46 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 55.1 mt-30 -64.26 148.35 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -143.87 152.33 41.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.7 mt -87.3 139.04 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.091 HG21 HG21 ' A' ' 41' ' ' VAL . 35.0 m -147.12 155.58 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' NE ' ' HA2' ' A' ' 66' ' ' GLY . 17.5 ttt180 -105.35 125.77 51.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.793 ' HA ' HG12 ' A' ' 41' ' ' VAL . 20.9 t -62.87 147.71 11.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.7 mt -118.72 -61.27 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -150.38 168.52 23.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.641 HG22 ' H ' ' A' ' 35' ' ' GLY . 15.4 m -137.49 119.93 11.24 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 111.104 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -9.63 26.58 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.346 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.641 ' H ' HG22 ' A' ' 33' ' ' THR . . . 109.42 -41.98 2.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -57.06 -174.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -81.2 40.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 52' ' ' SER . 86.0 mt -135.94 163.08 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.537 ' O ' HG22 ' A' ' 51' ' ' VAL . 36.9 m-70 -145.48 134.64 22.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -94.84 116.38 28.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 1.091 HG21 HG21 ' A' ' 28' ' ' VAL . 23.5 m -125.7 171.41 14.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -128.78 148.04 50.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 p -95.19 173.75 7.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.171 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.26 -24.77 66.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -88.89 24.96 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.12 55.51 28.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -124.58 109.22 12.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 110.927 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -88.34 135.64 33.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -160.99 179.93 8.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 mt -112.35 157.8 20.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.97 HG11 HG11 ' A' ' 71' ' ' VAL . 30.3 m -130.94 148.57 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.522 ' HA ' HD23 ' A' ' 38' ' ' LEU . 1.1 t -93.43 159.79 15.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.636 ' SD ' HD12 ' A' ' 84' ' ' ILE . 5.6 tpt -101.04 121.57 51.71 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.555 0.693 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.485 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 65.2 Cg_exo -47.96 144.63 11.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.715 2.277 . . . . 0.0 112.356 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.9 m -67.48 -28.64 68.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.539 ' HG3' ' CD1' ' A' ' 57' ' ' TYR . 3.7 pttm -78.1 -18.2 55.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.539 ' CD1' ' HG3' ' A' ' 56' ' ' LYS . 11.5 m-30 -93.35 33.06 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 80.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.2 ttpp -174.98 135.17 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -57.38 90.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.9 mt -79.48 150.8 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.49 ' CZ2' ' HE3' ' A' ' 64' ' ' LYS . 24.5 t90 -78.36 94.79 4.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 63.7 mt -123.31 105.48 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.49 ' HE3' ' CZ2' ' A' ' 62' ' ' TRP . 7.1 mtmp? -109.22 -179.54 3.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -78.77 146.89 33.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.48 ' HA2' ' NE ' ' A' ' 29' ' ' ARG . . . 87.13 -18.61 35.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.443 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.735 ' O ' HG23 ' A' ' 30' ' ' VAL . 4.8 m-20 -74.74 131.9 41.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.362 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.914 ' O ' HD23 ' A' ' 69' ' ' LEU . 49.2 m-85 -88.35 146.35 25.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.914 HD23 ' O ' ' A' ' 68' ' ' PHE . 10.4 mt -148.24 163.96 35.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.46 ' CG2' ' HB3' ' A' ' 25' ' ' GLN . 90.9 mt -107.4 111.12 34.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.97 HG11 HG11 ' A' ' 51' ' ' VAL . 32.6 m -96.66 160.13 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.494 ' C ' ' HB1' ' A' ' 82' ' ' ALA . 1.5 p30 -121.13 116.48 31.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.607 0.718 . . . . 0.0 110.847 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.437 ' CD ' ' O ' ' A' ' 24' ' ' GLN . 53.4 Cg_endo -69.84 138.96 38.8 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.741 HD11 ' HG3' ' A' ' 83' ' ' GLU . 7.5 mt -117.97 164.57 14.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.473 ' N ' HG22 ' A' ' 74' ' ' ILE . 1.8 pm0 -71.15 -177.29 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -52.99 107.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -150.06 -122.93 1.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -66.39 -174.4 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -79.6 13.99 1.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.0 t -100.42 141.97 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -87.15 -40.15 14.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.494 ' HB1' ' C ' ' A' ' 72' ' ' ASP . . . -152.38 176.16 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.741 ' HG3' HD11 ' A' ' 74' ' ' ILE . 45.7 mt-10 -129.62 141.18 50.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.636 HD12 ' SD ' ' A' ' 53' ' ' MET . 89.3 mt -53.77 135.18 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.7 m -107.21 -50.42 3.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -152.65 170.7 19.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.427 ' HA ' HD22 ' A' ' 69' ' ' LEU . 95.0 t -109.61 108.0 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 66.5 mt -66.68 143.24 57.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 4.7 t -110.88 171.39 7.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -50.32 -47.13 55.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -66.78 -49.29 66.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -45.06 -54.01 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.531 HG13 ' CH2' ' A' ' 102' ' ' TRP . 89.5 t -51.76 -27.4 8.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.171 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -75.81 -44.92 38.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' LEU . 74.5 m -58.47 -66.07 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.432 HD21 ' HD3' ' A' ' 21' ' ' PRO . 46.3 mt -36.97 -47.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -49.53 -55.86 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.446 ' N ' ' HE3' ' A' ' 98' ' ' LYS . 0.1 OUTLIER -48.84 -59.46 3.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -58.97 -21.26 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 88.26 34.47 9.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -103.63 -14.52 16.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TRP . . . . . 0.531 ' CH2' HG13 ' A' ' 93' ' ' VAL . 61.9 t-105 -76.81 136.84 66.59 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.61 0.719 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.524 ' HD2' ' CD2' ' A' ' 102' ' ' TRP . 53.8 Cg_endo -69.75 158.8 55.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -77.16 -44.34 30.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -49.94 -31.87 13.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.475 ' CD2' ' HG2' ' A' ' 103' ' ' PRO . 8.0 m-30 -101.19 -15.56 17.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.0 t -60.41 -26.45 66.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -90.52 20.09 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.0 t -112.05 -41.98 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.51 -60.98 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -47.33 153.2 0.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 41.8 mtpt 39.69 48.38 1.9 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -131.9 -53.04 0.99 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -102.17 117.9 35.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.8 m -85.83 154.45 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -168.42 -177.67 39.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 118' ' ' SER . 53.1 Cg_endo -69.76 0.43 5.67 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.635 2.224 . . . . 0.0 112.299 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 117' ' ' PRO . 36.2 m -35.96 131.5 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.7 p -112.56 -175.45 2.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.963 . . . . . . . . 0 0 . 1 stop_ save_