data_2ytg_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 2ytg _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.554 0.693 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.3 37.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.667 2.244 . . . . 0.0 112.338 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 14.3 m-85 -118.27 143.56 46.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -152.68 149.0 27.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.4 t -93.84 113.59 25.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.43 36.38 3.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 5.7 mp0 -124.94 -33.46 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.358 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 p -132.85 -41.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.58 46.31 0.45 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -120.84 115.1 22.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.1 p -98.17 157.8 15.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -146.81 129.46 16.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -46.36 -44.02 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -102.06 165.58 11.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 17.2 ptt-85 -86.62 -22.14 26.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 p -74.56 -19.27 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -90.96 -11.19 39.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 tp -94.63 -51.58 4.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -56.98 -39.8 75.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -69.89 -17.61 63.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -89.77 -40.3 12.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.81 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -56.66 -13.32 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 -55.52 -35.31 65.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.3 m -65.89 -15.66 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.564 0.697 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -20.4 34.56 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -120.94 163.34 18.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -161.0 147.79 15.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 t -91.99 107.69 19.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.431 ' C ' ' OE2' ' A' ' 17' ' ' GLU . . . -83.91 37.73 2.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.8 mp0 -124.92 -45.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 p -123.04 -42.82 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.64 33.87 0.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.533 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 47.3 mttt -106.79 108.4 19.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.1 152.07 20.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -139.76 157.38 45.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -76.47 -39.63 52.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -108.53 154.85 21.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -77.77 -38.55 46.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.9 p -59.34 -17.92 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -95.16 -27.04 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.8 tp -77.06 -48.96 16.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 30' ' ' GLN . 9.6 t -54.92 -42.77 72.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.421 ' N ' HG22 ' A' ' 29' ' ' THR . 12.9 mm100 -61.74 -35.8 79.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.533 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 20.7 t60 -71.23 -52.82 16.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -46.06 -21.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -48.26 -48.15 35.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.8 m -55.71 -24.99 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.447 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 30.4 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.581 0.705 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.73 37.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 25.5 m-85 -131.21 154.0 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -155.15 149.95 26.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.6 t -93.46 112.01 23.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.98 42.62 3.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -132.33 -56.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.935 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 17.4 p -106.5 -46.18 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 123.64 46.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 36.1 mttp -120.63 121.83 39.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.8 p -105.53 149.45 26.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -133.43 167.29 20.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -80.59 -42.56 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.968 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -107.6 157.17 18.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 22.6 ptt85 -74.71 -29.37 61.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.24 -26.59 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -82.42 -26.7 32.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.2 tp -77.92 -55.35 5.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -54.89 -34.75 63.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -72.46 -22.47 61.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.49 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 14.0 t60 -87.42 -39.29 15.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.66 -17.29 32.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -57.34 -24.35 54.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.8 m -71.34 -32.72 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 23' ' ' ASN . 1.4 mptp? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.638 0.732 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -5.59 16.55 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.35 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.541 ' CE1' ' HB3' ' A' ' 25' ' ' ARG . 32.7 m-85 -130.46 143.22 50.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 26.7 ttpt -152.0 158.08 42.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.1 t -107.38 117.35 33.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.88 -21.49 79.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.536 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.4 mm-40 -59.46 -61.34 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -103.49 -46.23 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.24 31.28 1.09 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 49.5 mttt -91.36 177.87 6.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 p -153.84 146.45 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.487 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 93.6 m-85 -138.67 129.17 26.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.458 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 52.7 m-80 -43.82 -41.44 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -107.06 158.8 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.541 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 6.5 ptt-85 -74.84 -42.41 58.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.416 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 7.5 p -52.15 -33.95 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.487 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 27.9 m170 -72.99 -34.28 66.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 tp -73.01 -59.25 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -49.16 -39.66 29.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -70.97 -25.81 62.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.557 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.8 t60 -81.01 -34.17 33.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -55.53 -21.18 15.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -58.59 -32.45 68.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.5 m -59.12 -15.9 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 49.1 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HD3' ' CA ' ' A' ' 22' ' ' TYR . 23.3 mttm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -16.45 37.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CE2' ' N ' ' A' ' 25' ' ' ARG . 4.2 m-85 -123.53 148.31 46.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -153.8 140.93 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 t -80.95 109.88 15.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.71 42.58 2.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -133.17 -52.23 0.89 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.899 0.381 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -111.39 -42.04 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.19 24.28 2.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 19.3 mttm -96.89 123.8 40.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 p -105.99 157.69 17.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.425 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 52.5 m-85 -143.2 153.26 42.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.34 -29.17 53.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -112.49 140.13 47.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.516 ' N ' ' CE2' ' A' ' 13' ' ' PHE . 47.9 ptt85 -63.68 -39.59 94.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.84 -30.21 49.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -73.39 -19.56 60.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 tp -86.63 -55.57 3.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.463 HG23 ' N ' ' A' ' 30' ' ' GLN . 1.4 t -47.93 -31.96 5.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.463 ' N ' HG23 ' A' ' 29' ' ' THR . 48.0 mt-30 -74.86 -36.7 62.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.506 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 7.2 t60 -68.16 -46.12 71.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -45.98 -23.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.2 mtp85 -57.65 -43.37 84.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.432 HG21 ' N ' ' A' ' 35' ' ' HIS . 14.9 m -49.04 -26.31 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.432 ' N ' HG21 ' A' ' 34' ' ' VAL . 24.8 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -11.5 30.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 25' ' ' ARG . 3.2 m-85 -126.66 143.77 51.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -152.03 136.27 16.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.35 114.52 19.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.28 46.03 3.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -133.61 -42.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.951 0.405 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.9 p -123.12 -42.85 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.19 43.07 0.37 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.508 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 24.4 mttt -119.09 123.17 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.8 p -106.77 158.25 17.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -145.98 151.0 37.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -79.96 -30.57 39.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -104.42 153.3 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 78.8 mtt-85 -75.18 -45.18 42.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.63 -9.96 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.07 -26.83 16.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.7 tp -81.93 -50.91 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -57.39 -37.59 72.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -73.19 -16.71 61.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.457 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 36.8 t60 -92.65 -40.5 10.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -60.74 -24.21 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -63.43 -29.54 70.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.67 -16.44 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.895 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.615 0.722 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.326 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CE2' ' N ' ' A' ' 25' ' ' ARG . 8.9 m-85 -137.64 150.62 47.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 17.5 tttp -154.08 148.57 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.415 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 13.2 t -91.78 121.24 33.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.56 36.98 3.54 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.2 mm-40 -126.42 -44.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -120.53 -39.48 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.79 31.46 1.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.544 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 28.8 mttm -104.05 123.77 47.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.747 0.308 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 84.6 p -105.62 154.24 20.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -140.23 151.47 45.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -82.07 -6.76 59.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -131.58 130.33 42.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.582 ' N ' ' CE2' ' A' ' 13' ' ' PHE . 16.2 ptp180 -55.73 -41.84 74.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 p -55.96 -34.29 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -71.32 -32.52 68.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 tp -72.2 -58.84 3.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 4.5 t -52.78 -42.74 65.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.178 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' N ' ' CG2' ' A' ' 29' ' ' THR . 22.5 mm-40 -68.12 -36.2 79.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.544 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.1 t60 -70.51 -33.73 71.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -57.34 -14.82 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -58.3 -24.86 60.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.72 -13.31 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 28.1 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.577 0.703 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -6.28 18.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 12.1 m-85 -143.04 146.22 33.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -151.12 144.71 24.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.5 t -87.42 125.27 34.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.41 44.08 1.91 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -130.79 -48.08 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.4 p -117.73 -43.3 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.97 48.86 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -119.62 129.58 54.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.7 p -107.37 146.69 31.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -136.24 133.37 36.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -60.73 -34.61 74.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -107.75 135.23 49.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 3.9 ptm85 -57.18 -43.88 83.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.8 p -60.46 -22.0 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -83.14 -15.04 52.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -93.11 -50.0 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 t -57.15 -35.05 69.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.21 -28.97 64.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -76.48 -40.36 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -53.86 -19.38 4.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -45.06 -47.07 11.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 m -57.7 -38.19 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mptt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.557 0.694 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.501 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.79 -15.55 37.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.501 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 11.1 m-85 -119.64 151.35 38.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.3 tttt -154.37 146.79 23.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.449 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 24.4 t -97.92 117.55 32.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.97 -22.48 68.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.1 mm-40 -57.13 -56.81 16.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -111.47 -44.58 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.84 31.86 0.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -100.28 134.16 43.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.337 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 81.8 p -111.06 143.16 42.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -128.99 144.01 51.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -58.85 -39.96 82.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -108.89 162.85 13.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.473 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 6.1 tpt180 -80.24 -45.13 18.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -54.39 -20.51 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -86.18 -23.02 26.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.449 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 37.3 tp -83.34 -55.03 4.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.446 HG21 ' N ' ' A' ' 30' ' ' GLN . 5.4 t -51.14 -39.48 56.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.446 ' N ' HG21 ' A' ' 29' ' ' THR . 23.8 mt-30 -68.19 -38.81 82.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -65.16 -46.78 79.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -45.69 -26.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -45.08 -37.93 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.43 HG21 ' CE1' ' A' ' 35' ' ' HIS . 4.4 m -56.97 -37.07 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.465 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 19.3 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.6 mptt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.558 0.694 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -17.28 37.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.321 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 12.6 m-85 -123.36 163.61 20.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -159.22 124.38 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.1 t -68.32 115.21 7.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.446 ' C ' ' OE2' ' A' ' 17' ' ' GLU . . . -89.66 36.76 3.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.518 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 4.2 mp0 -123.93 -40.92 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.371 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.3 p -127.92 -41.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.71 30.51 0.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -106.69 108.92 20.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.4 p -90.47 156.12 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -136.17 157.47 46.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -77.64 -35.25 52.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.434 ' C ' ' CE2' ' A' ' 13' ' ' PHE . 14.7 mm100 -105.67 160.06 15.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 53.9 ttm-85 -80.31 -42.53 22.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 p -68.92 -14.83 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -86.8 -18.76 30.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -85.98 -63.62 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 30' ' ' GLN . 6.9 t -39.77 -43.58 1.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.435 ' N ' HG22 ' A' ' 29' ' ' THR . 13.0 mt-30 -60.98 -43.0 99.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -62.22 -49.17 76.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -50.62 -17.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 2.9 mmp_? -57.83 -44.22 86.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.0 m -48.88 -37.2 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 mptt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.579 0.704 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -20.26 35.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.339 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.458 ' CZ ' ' HG2' ' A' ' 25' ' ' ARG . 2.8 m-85 -122.38 152.43 40.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -155.57 142.18 18.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -82.89 123.22 29.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.53 32.44 5.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -125.82 -44.37 1.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.941 0.4 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -115.95 -44.93 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.33 30.8 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -100.52 127.64 46.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.5 p -108.82 137.81 46.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -123.39 165.9 16.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -90.26 -32.29 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -110.66 159.24 17.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG2' ' CZ ' ' A' ' 13' ' ' PHE . 52.6 mtt85 -73.57 -49.45 26.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.3 p -55.38 -25.78 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -75.25 -32.63 61.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.8 tp -76.94 -55.8 5.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 1.4 t -53.59 -40.41 65.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' N ' ' CG2' ' A' ' 29' ' ' THR . 55.5 mm-40 -70.29 -18.92 63.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -87.07 -33.78 19.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -58.67 -21.03 53.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' A' ' 30' ' ' GLN . 29.5 mtm105 -61.74 -18.7 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.9 m -75.41 -14.98 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -21.28 33.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 7.8 m-85 -110.22 139.33 45.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -151.94 141.71 21.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.4 t -96.43 113.44 25.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.77 -27.0 63.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 30.0 mm-40 -50.33 -49.78 52.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -120.49 -43.04 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.78 43.15 0.5 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -111.52 128.04 55.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.9 p -104.94 153.54 21.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -146.18 128.71 16.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -50.9 -40.11 55.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -96.48 154.49 17.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 35.7 ttt180 -76.71 -47.06 23.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 p -56.27 -17.79 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -83.04 -23.7 33.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 tp -89.04 -58.34 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 t -50.68 -36.74 37.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -72.5 -41.27 66.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -63.9 -44.71 92.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -46.53 -29.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -46.44 -36.81 6.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.558 HG23 ' CE1' ' A' ' 35' ' ' HIS . 32.2 m -52.53 -37.37 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CE1' HG23 ' A' ' 34' ' ' VAL . 15.1 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HD3' ' CA ' ' A' ' 22' ' ' TYR . 19.3 mttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.54 0.686 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -19.37 36.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.717 2.278 . . . . 0.0 112.32 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 9.0 m-85 -118.7 158.4 25.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -156.83 141.13 16.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 t -78.24 113.6 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.8 38.61 3.11 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -131.35 -49.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -118.98 -41.59 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.37 15.59 2.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 35.9 mttt -84.72 106.88 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -91.28 156.63 17.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.446 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 81.8 m-85 -143.96 146.03 32.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.436 ' ND2' ' H ' ' A' ' 23' ' ' ASN . 0.6 OUTLIER -69.92 -32.05 70.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.412 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 22.3 mt-30 -108.03 156.29 19.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 4.2 ptp180 -83.87 -38.68 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 p -66.26 -12.41 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.412 ' ND1' ' HB2' ' A' ' 24' ' ' GLN . 65.4 m170 -94.05 -24.93 17.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -78.95 -54.09 6.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 30' ' ' GLN . 4.4 t -49.36 -37.31 24.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.447 ' N ' HG23 ' A' ' 29' ' ' THR . 12.9 mm100 -68.48 -32.42 72.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.525 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 13.7 t60 -74.57 -45.63 44.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -49.42 -26.61 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -45.82 -24.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 m -71.63 -40.44 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.931 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.607 0.718 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -8.11 22.77 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.288 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 10.7 m-85 -136.26 140.17 43.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -151.13 128.77 11.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 t -71.17 104.98 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.25 42.89 2.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -130.67 -46.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.872 0.367 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -119.4 -41.02 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.85 36.33 0.78 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 17.9 mtpp -114.99 109.6 18.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.443 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 1.4 t -93.03 169.72 10.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.546 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 81.6 m-85 -153.62 124.25 7.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -44.09 -38.3 3.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -103.95 164.33 11.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 74.1 ttt180 -82.13 -45.65 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.6 p -51.86 -31.56 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.546 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 33.3 m170 -74.23 -24.79 59.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 tp -79.61 -57.71 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 30' ' ' GLN . 6.1 t -55.56 -41.11 72.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.427 ' N ' HG22 ' A' ' 29' ' ' THR . 26.8 mt-30 -67.78 -30.06 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.449 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 13.5 t60 -73.75 -33.05 64.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -59.28 -15.34 15.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -58.25 -14.21 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.44 HG23 ' CE1' ' A' ' 35' ' ' HIS . 21.0 m -83.39 -36.51 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.44 ' CE1' HG23 ' A' ' 34' ' ' VAL . 26.8 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.551 0.691 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -18.72 36.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 41.1 m-85 -125.04 158.25 34.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -155.89 139.52 16.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 2.1 t -83.84 108.23 16.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.8 45.25 3.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -133.13 -43.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.485 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 16.1 p -122.28 -42.91 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.59 49.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.536 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 29.1 mtpt -126.97 123.67 37.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.0 p -104.27 152.53 22.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 70.8 m-85 -135.31 147.06 49.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -57.26 -39.8 76.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -114.04 172.8 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 26.5 ptt180 -85.93 -42.16 14.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 p -56.05 -25.11 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.426 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 3.9 m-70 -82.34 -30.84 30.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.414 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 11.2 tp -75.29 -54.31 7.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 7.0 t -50.58 -46.03 57.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.468 ' N ' ' CG2' ' A' ' 29' ' ' THR . 33.0 mt-30 -58.67 -40.75 84.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.417 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 10.8 t60 -66.2 -44.4 84.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -49.24 -30.75 7.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 -47.18 -37.39 10.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 m -55.81 -41.03 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.485 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 37.6 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.4 mttp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.594 0.711 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -21.08 33.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.649 2.232 . . . . 0.0 112.313 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 12.8 m-85 -112.92 143.13 44.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -154.7 131.9 11.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.1 t -72.91 116.98 14.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.68 46.93 2.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.523 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.6 mm-40 -133.7 -39.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.907 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 p -130.91 -42.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.93 55.57 0.19 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.455 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 35.6 mttt -127.87 117.8 22.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.52 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 96.5 p -98.47 164.03 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 21' ' ' SER . 59.8 m-85 -156.35 120.6 4.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -42.94 -38.53 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -102.48 155.04 18.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.8 ptt85 -82.09 -39.66 23.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.17 -14.2 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -93.9 -29.33 15.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 tp -77.42 -51.12 11.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.435 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 5.2 t -55.8 -42.29 75.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.435 ' N ' ' CG2' ' A' ' 29' ' ' THR . 25.7 mm-40 -65.47 -36.42 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.496 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.7 t60 -66.41 -37.34 85.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -52.5 -17.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -56.84 -30.08 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.5 m -71.53 -17.47 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 19.7 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.463 ' HD3' ' CA ' ' A' ' 22' ' ' TYR . 78.4 mttt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -27.76 26.0 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.553 ' CE1' ' HG2' ' A' ' 25' ' ' ARG . 8.4 m-85 -98.03 151.29 20.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -155.72 127.19 7.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.6 t -79.79 105.62 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.27 -21.1 77.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -62.12 -51.51 67.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -114.54 -43.89 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.1 16.59 3.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -94.77 124.48 38.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.3 p -99.74 169.07 9.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.463 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 59.3 m-85 -147.9 161.03 42.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -87.84 -17.39 31.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -123.99 152.87 42.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.553 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 9.0 mtp-105 -72.75 -52.08 16.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.73 -22.54 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -83.95 -27.54 28.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 65.4 tp -79.78 -56.98 3.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.494 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 6.3 t -54.48 -47.32 73.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.494 ' N ' ' CG2' ' A' ' 29' ' ' THR . 14.5 mm100 -64.89 -31.55 72.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -72.33 -37.17 68.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -58.7 -20.22 46.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -53.96 -16.26 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 m -79.5 -27.66 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 22' ' ' TYR . 21.2 mttp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.598 0.713 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -12.81 33.62 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.323 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 18.0 m-85 -126.91 146.44 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.6 tttt -155.04 123.53 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -73.06 141.02 47.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.72 -24.95 10.25 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.545 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.6 mm-40 -52.88 -59.0 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.374 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -112.3 -43.68 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.13 45.18 0.34 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.535 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 26.7 mttt -111.24 125.59 53.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.4 p -103.72 153.61 20.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.415 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 34.0 m-85 -139.92 128.13 22.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -55.25 -21.34 13.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -114.76 157.28 23.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 4.7 tmm_? -81.77 -49.36 10.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.84 -17.16 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -84.71 -28.36 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tp -74.73 -59.37 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -47.37 -34.33 6.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -71.07 -32.96 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.535 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 22.4 t60 -75.68 -37.67 59.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -55.99 -18.09 8.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -63.13 -15.78 57.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.532 HG23 ' CE1' ' A' ' 35' ' ' HIS . 35.9 m -80.04 -13.89 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.545 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 29.1 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.6 mptt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.526 0.679 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -12.6 33.21 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.663 ' CZ ' ' CG ' ' A' ' 25' ' ' ARG . 11.7 m-85 -126.8 139.57 53.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -150.84 147.65 27.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -95.92 139.51 32.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.47 -21.66 23.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 14.4 mm-40 -57.68 -63.93 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.879 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -105.56 -44.61 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.9 31.46 1.02 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.505 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 49.4 mttm -97.32 127.89 43.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.7 p -105.72 156.47 18.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.502 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 78.1 m-85 -146.91 128.93 15.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -55.99 -33.52 64.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -100.65 165.76 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.663 ' CG ' ' CZ ' ' A' ' 13' ' ' PHE . 55.0 mtp180 -85.6 -53.52 5.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 p -49.62 -19.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.502 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 4.5 m170 -81.89 -35.91 28.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.4 tp -71.77 -57.72 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 6.9 t -54.1 -42.14 69.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.405 ' N ' ' CG2' ' A' ' 29' ' ' THR . 32.8 mt-30 -66.75 -33.91 76.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.505 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.9 t60 -68.8 -33.49 73.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.93 -12.96 20.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 13.1 mtp-105 -58.51 -13.26 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.6 m -92.81 -28.14 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.471 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 47.6 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.591 0.71 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -22.05 32.6 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 49.4 m-85 -120.34 160.88 22.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -157.67 146.34 19.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.42 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 1.4 t -90.54 122.49 33.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.57 46.15 1.98 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.52 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.8 mm-40 -134.57 -45.43 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.933 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -123.73 -42.64 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.37 34.43 0.66 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 22.1 mttp -104.12 111.65 24.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.344 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.41 145.06 25.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -133.01 150.19 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -70.94 -33.66 70.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.963 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -116.25 134.04 55.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -62.29 -14.18 36.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.8 p -75.67 -31.34 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -85.14 -24.93 27.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 15.4 tp -76.39 -51.48 11.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.421 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 5.3 t -54.97 -41.6 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.421 ' N ' ' CG2' ' A' ' 29' ' ' THR . 8.5 mm100 -65.55 -26.94 68.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.495 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.0 t60 -78.86 -39.3 35.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -55.26 -14.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.6 mtt-85 -60.4 -28.91 68.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 m -66.84 -32.91 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 30.1 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -148.71 120.88 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m -143.51 159.2 42.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.74 140.68 6.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -85.58 161.43 19.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 110.893 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 p -159.97 139.84 11.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.48 154.73 8.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.0 m -103.98 112.68 25.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 111.15 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.48 ' C ' ' CD ' ' A' ' 10' ' ' GLU . . . 118.33 -129.07 8.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.428 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.48 ' CD ' ' C ' ' A' ' 9' ' ' GLY . 1.7 pm0 -173.17 135.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.896 0.379 . . . . 0.0 110.897 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.2 143.97 49.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.693 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.3 37.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.667 2.244 . . . . 0.0 112.338 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 14.3 m-85 -118.27 143.56 46.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -152.68 149.0 27.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.4 t -93.84 113.59 25.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.43 36.38 3.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 5.7 mp0 -124.94 -33.46 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.358 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 p -132.85 -41.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.58 46.31 0.45 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -120.84 115.1 22.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.1 p -98.17 157.8 15.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -146.81 129.46 16.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -46.36 -44.02 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -102.06 165.58 11.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 17.2 ptt-85 -86.62 -22.14 26.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 p -74.56 -19.27 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -90.96 -11.19 39.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 tp -94.63 -51.58 4.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -56.98 -39.8 75.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -69.89 -17.61 63.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -89.77 -40.3 12.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.81 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -56.66 -13.32 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 -55.52 -35.31 65.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.3 m -65.89 -15.66 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -102.72 5.01 38.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.1 p -149.41 117.35 6.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.19 -42.4 0.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.64 176.92 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.37 143.98 49.18 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -16.45 37.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -98.22 -61.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.83 -162.23 44.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 83.4 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -62.82 130.62 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 m -87.67 42.02 1.02 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.479 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -54.15 132.6 43.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 4' ' ' GLY . 3.6 m -128.43 68.05 1.37 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.832 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.59 -143.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 t -170.24 165.88 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.896 0.379 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 m -124.15 158.94 31.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.01 -69.42 0.4 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.2 m -83.63 102.02 11.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.817 0.341 . . . . 0.0 111.147 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.83 159.31 0.15 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.459 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.52 174.61 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.389 . . . . 0.0 110.835 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.16 145.06 33.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -20.4 34.56 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -120.94 163.34 18.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -161.0 147.79 15.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 t -91.99 107.69 19.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.431 ' C ' ' OE2' ' A' ' 17' ' ' GLU . . . -83.91 37.73 2.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.8 mp0 -124.92 -45.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 p -123.04 -42.82 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.64 33.87 0.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.533 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 47.3 mttt -106.79 108.4 19.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.1 152.07 20.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -139.76 157.38 45.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -76.47 -39.63 52.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -108.53 154.85 21.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -77.77 -38.55 46.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.9 p -59.34 -17.92 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -95.16 -27.04 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.8 tp -77.06 -48.96 16.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.421 HG22 ' N ' ' A' ' 30' ' ' GLN . 9.6 t -54.92 -42.77 72.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.421 ' N ' HG22 ' A' ' 29' ' ' THR . 12.9 mm100 -61.74 -35.8 79.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.533 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 20.7 t60 -71.23 -52.82 16.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -46.06 -21.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -48.26 -48.15 35.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.8 m -55.71 -24.99 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.447 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 30.4 m-70 -89.91 -34.62 15.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.1 p -75.36 120.62 21.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.05 -166.76 38.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -114.66 129.23 56.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.09 144.05 51.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.588 0.709 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -43.45 2.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.715 2.276 . . . . 0.0 112.364 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -165.37 177.53 7.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.0 -158.4 13.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 90.39 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.8 t -169.3 151.47 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.3 t -65.69 138.53 58.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.456 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 t -128.04 137.7 52.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 m -69.08 124.76 24.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.51 55.13 0.66 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 6' ' ' SER . 2.0 t -81.12 -52.4 7.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.837 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 5' ' ' SER . 7.8 t -36.47 104.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.61 77.37 0.5 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.9 p -73.39 -48.63 32.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 111.139 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.9 107.99 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -89.44 81.71 6.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -98.36 143.89 27.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.73 37.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.498 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 25.5 m-85 -131.21 154.0 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -155.15 149.95 26.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.6 t -93.46 112.01 23.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.98 42.62 3.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -132.33 -56.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.935 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 17.4 p -106.5 -46.18 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 123.64 46.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 36.1 mttp -120.63 121.83 39.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.8 p -105.53 149.45 26.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -133.43 167.29 20.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -80.59 -42.56 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.968 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -107.6 157.17 18.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 22.6 ptt85 -74.71 -29.37 61.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.24 -26.59 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -82.42 -26.7 32.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.2 tp -77.92 -55.35 5.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -54.89 -34.75 63.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -72.46 -22.47 61.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.49 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 14.0 t60 -87.42 -39.29 15.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.66 -17.29 32.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -57.34 -24.35 54.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.8 m -71.34 -32.72 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -88.59 0.43 56.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.24 112.4 16.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.44 -134.76 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -109.66 152.51 25.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.927 0.394 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -40.59 151.45 0.25 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -30.95 21.56 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.667 2.244 . . . . 0.0 112.401 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 t -60.17 133.93 56.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.07 173.57 55.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.14 47.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 t -56.31 141.75 40.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.9 p -106.13 165.17 11.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.516 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.9 m -156.45 123.41 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.382 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -166.74 125.41 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.39 -83.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 m -115.53 103.92 11.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.811 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 p -123.48 -58.49 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.03 50.04 8.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.5 m -45.58 114.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 111.204 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.9 -30.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 59.83 42.53 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 23' ' ' ASN . 1.4 mptp? -62.83 157.2 61.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.833 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -5.59 16.55 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.35 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.541 ' CE1' ' HB3' ' A' ' 25' ' ' ARG . 32.7 m-85 -130.46 143.22 50.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 26.7 ttpt -152.0 158.08 42.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.1 t -107.38 117.35 33.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.88 -21.49 79.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.4 mm-40 -59.46 -61.34 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -103.49 -46.23 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.24 31.28 1.09 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 49.5 mttt -91.36 177.87 6.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 p -153.84 146.45 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.487 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 93.6 m-85 -138.67 129.17 26.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.458 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 52.7 m-80 -43.82 -41.44 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -107.06 158.8 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.541 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 6.5 ptt-85 -74.84 -42.41 58.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.416 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 7.5 p -52.15 -33.95 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.487 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 27.9 m170 -72.99 -34.28 66.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 tp -73.01 -59.25 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -49.16 -39.66 29.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -70.97 -25.81 62.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.557 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.8 t60 -81.01 -34.17 33.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -55.53 -21.18 15.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -58.59 -32.45 68.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 15.5 m -59.12 -15.9 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 49.1 m-70 -108.99 -26.63 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' GLY . 16.9 p -107.71 42.97 1.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -35.77 108.97 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -89.11 161.93 16.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -154.54 143.8 15.07 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.558 0.694 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -38.76 7.3 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.1 t -52.29 112.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.18 149.29 7.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.449 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -16.68 37.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.7 p -63.91 -52.41 59.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -99.68 27.62 5.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.494 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 m -99.86 175.45 5.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.848 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 p -137.52 152.74 49.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.58 39.69 0.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.9 p -91.0 100.66 13.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 110.814 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 8.3 t -87.81 80.42 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.91 75.29 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.3 m -82.76 -62.46 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 111.147 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.28 90.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.29 125.79 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HD3' ' CA ' ' A' ' 22' ' ' TYR . 23.3 mttm -102.17 145.56 30.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -16.45 37.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CE2' ' N ' ' A' ' 25' ' ' ARG . 4.2 m-85 -123.53 148.31 46.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -153.8 140.93 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 t -80.95 109.88 15.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.71 42.58 2.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -133.17 -52.23 0.89 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.899 0.381 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -111.39 -42.04 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.19 24.28 2.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 19.3 mttm -96.89 123.8 40.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 p -105.99 157.69 17.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.425 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 52.5 m-85 -143.2 153.26 42.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.34 -29.17 53.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -112.49 140.13 47.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.516 ' N ' ' CE2' ' A' ' 13' ' ' PHE . 47.9 ptt85 -63.68 -39.59 94.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.84 -30.21 49.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -73.39 -19.56 60.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 tp -86.63 -55.57 3.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.463 HG23 ' N ' ' A' ' 30' ' ' GLN . 1.4 t -47.93 -31.96 5.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.463 ' N ' HG23 ' A' ' 29' ' ' THR . 48.0 mt-30 -74.86 -36.7 62.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.506 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 7.2 t60 -68.16 -46.12 71.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -45.98 -23.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.2 mtp85 -57.65 -43.37 84.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.432 HG21 ' N ' ' A' ' 35' ' ' HIS . 14.9 m -49.04 -26.31 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.432 ' N ' HG21 ' A' ' 34' ' ' VAL . 24.8 m-70 -84.78 24.37 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.9 p -85.45 113.97 22.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.75 117.99 5.16 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.446 ' O ' ' CD ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -93.07 39.15 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.908 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.78 149.85 60.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.619 0.723 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 132.54 23.6 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.0 t -78.73 99.75 6.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.59 166.27 11.61 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.6 Cg_endo -69.75 121.78 8.47 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' PRO . 11.9 t -36.42 140.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -52.93 141.74 21.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.491 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -115.7 161.21 19.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.367 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -111.28 158.21 19.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.51 -122.69 0.84 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 p -127.7 125.08 39.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -83.7 -47.77 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.85 157.6 14.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.514 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 m -127.68 92.9 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.348 . . . . 0.0 111.154 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.83 167.85 20.3 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -132.85 85.04 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.967 0.413 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.83 143.97 27.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -11.5 30.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 25' ' ' ARG . 3.2 m-85 -126.66 143.77 51.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -152.03 136.27 16.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.35 114.52 19.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.28 46.03 3.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -133.61 -42.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.951 0.405 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.9 p -123.12 -42.85 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.19 43.07 0.37 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.508 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 24.4 mttt -119.09 123.17 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.8 p -106.77 158.25 17.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -145.98 151.0 37.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -79.96 -30.57 39.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -104.42 153.3 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 78.8 mtt-85 -75.18 -45.18 42.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.63 -9.96 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -94.07 -26.83 16.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.7 tp -81.93 -50.91 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -57.39 -37.59 72.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -73.19 -16.71 61.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.457 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 36.8 t60 -92.65 -40.5 10.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -60.74 -24.21 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -63.43 -29.54 70.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.6 m -61.67 -16.44 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -98.64 -21.61 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 p -110.8 80.86 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 40.64 -156.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 39' ' ' LYS . 14.3 tt0 -127.98 128.37 44.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.389 . . . . 0.0 110.861 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 38' ' ' GLU . 49.6 pttt -37.72 143.95 0.36 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.577 0.703 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 126.16 12.99 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.25 . . . . 0.0 112.369 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -52.15 138.45 25.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.63 -158.62 11.74 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -10.74 29.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.641 2.227 . . . . 0.0 112.369 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.7 p -89.56 43.12 1.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -51.74 -51.46 55.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.491 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -82.24 138.19 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 m -41.88 -55.48 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.45 -33.82 0.99 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m 43.14 50.03 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 110.834 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -114.06 94.92 5.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.26 77.39 0.26 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.3 p -105.7 -51.46 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 0.0 111.126 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 168.77 152.53 7.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -106.75 127.48 53.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.69 143.87 59.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.722 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.326 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.582 ' CE2' ' N ' ' A' ' 25' ' ' ARG . 8.9 m-85 -137.64 150.62 47.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 17.5 tttp -154.08 148.57 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.415 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 13.2 t -91.78 121.24 33.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.56 36.98 3.54 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.482 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.2 mm-40 -126.42 -44.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -120.53 -39.48 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.79 31.46 1.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.544 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 28.8 mttm -104.05 123.77 47.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.747 0.308 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 84.6 p -105.62 154.24 20.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -140.23 151.47 45.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -82.07 -6.76 59.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -131.58 130.33 42.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.582 ' N ' ' CE2' ' A' ' 13' ' ' PHE . 16.2 ptp180 -55.73 -41.84 74.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 p -55.96 -34.29 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -71.32 -32.52 68.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 tp -72.2 -58.84 3.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 4.5 t -52.78 -42.74 65.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.178 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' N ' ' CG2' ' A' ' 29' ' ' THR . 22.5 mm-40 -68.12 -36.2 79.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.544 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.1 t60 -70.51 -33.73 71.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -57.34 -14.82 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -58.3 -24.86 60.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.3 m -75.72 -13.31 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 28.1 m-70 -110.05 -21.56 12.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.2 t -127.85 98.71 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 179.55 -112.56 0.36 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.522 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 37' ' ' GLY . 20.4 tt0 38.12 46.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.936 0.398 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.44 143.76 16.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.703 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 144.21 53.41 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 2.275 . . . . 0.0 112.368 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 t -113.12 -177.06 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.21 -95.03 0.61 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.539 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.19 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.736 2.291 . . . . 0.0 112.329 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 m -159.04 158.13 32.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.0 p -106.17 170.13 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.517 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -94.65 177.63 5.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 t -68.78 93.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.15 148.91 19.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.539 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -168.2 134.13 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 110.861 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -51.85 165.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.38 75.71 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.6 m -55.13 105.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.3 140.55 16.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -103.77 18.83 21.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.889 0.376 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -81.83 146.6 56.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.577 0.703 . . . . 0.0 110.889 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -6.28 18.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 12.1 m-85 -143.04 146.22 33.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -151.12 144.71 24.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.5 t -87.42 125.27 34.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.41 44.08 1.91 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -130.79 -48.08 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.4 p -117.73 -43.3 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.97 48.86 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -119.62 129.58 54.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.7 p -107.37 146.69 31.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -136.24 133.37 36.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -60.73 -34.61 74.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -107.75 135.23 49.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 3.9 ptm85 -57.18 -43.88 83.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.8 p -60.46 -22.0 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -83.14 -15.04 52.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -93.11 -50.0 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 t -57.15 -35.05 69.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.21 -28.97 64.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -76.48 -40.36 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -53.86 -19.38 4.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -45.06 -47.07 11.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 m -57.7 -38.19 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -76.92 -10.24 59.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 p -124.8 47.76 2.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.74 172.91 40.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 73.78 37.43 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -141.3 143.98 32.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.688 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -37.2 9.33 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t 54.85 35.35 24.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.74 -160.53 30.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -4.74 14.6 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.754 2.303 . . . . 0.0 112.328 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 m -48.19 -37.83 16.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.5 m -98.05 112.65 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.485 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -73.98 169.57 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -155.18 129.54 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.75 -124.04 1.52 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.0 p 39.51 51.59 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.817 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -85.5 50.12 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.9 51.28 50.6 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.2 m -82.41 -58.0 3.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.818 0.342 . . . . 0.0 111.135 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.44 -165.14 51.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -143.62 154.0 43.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -129.99 143.82 50.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.557 0.694 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.501 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.79 -15.55 37.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.501 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 11.1 m-85 -119.64 151.35 38.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.3 tttt -154.37 146.79 23.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 24.4 t -97.92 117.55 32.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.97 -22.48 68.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.465 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.1 mm-40 -57.13 -56.81 16.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -111.47 -44.58 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.84 31.86 0.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -100.28 134.16 43.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.337 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 81.8 p -111.06 143.16 42.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -128.99 144.01 51.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -58.85 -39.96 82.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -108.89 162.85 13.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.473 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 6.1 tpt180 -80.24 -45.13 18.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -54.39 -20.51 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -86.18 -23.02 26.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.449 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 37.3 tp -83.34 -55.03 4.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.446 HG21 ' N ' ' A' ' 30' ' ' GLN . 5.4 t -51.14 -39.48 56.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.446 ' N ' HG21 ' A' ' 29' ' ' THR . 23.8 mt-30 -68.19 -38.81 82.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -65.16 -46.78 79.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -45.69 -26.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -45.08 -37.93 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.43 HG21 ' CE1' ' A' ' 35' ' ' HIS . 4.4 m -56.97 -37.07 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.465 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 19.3 m-70 -91.97 -27.77 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.4 p -101.53 107.56 18.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.82 -64.82 0.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -87.75 92.84 9.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.93 0.395 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -147.94 146.92 25.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.621 0.724 . . . . 0.0 110.854 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.59 29.46 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -112.13 83.36 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.827 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.77 169.29 24.45 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.1 Cg_endo -69.76 -22.26 32.32 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.644 2.229 . . . . 0.0 112.356 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' PRO . 6.8 t -35.6 -54.87 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.0 p -56.01 109.01 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.514 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p 39.44 42.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.6 p -98.67 126.08 44.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.66 -147.41 6.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.522 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -83.19 131.31 35.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m -104.01 -60.55 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.79 132.54 2.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.9 m -100.79 86.0 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 111.186 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.12 55.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -49.83 176.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.6 mptt -123.58 145.67 47.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -17.28 37.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.321 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 12.6 m-85 -123.36 163.61 20.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -159.22 124.38 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.1 t -68.32 115.21 7.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.446 ' C ' ' OE2' ' A' ' 17' ' ' GLU . . . -89.66 36.76 3.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.518 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 4.2 mp0 -123.93 -40.92 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.371 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.3 p -127.92 -41.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.71 30.51 0.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -106.69 108.92 20.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.4 p -90.47 156.12 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -136.17 157.47 46.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -77.64 -35.25 52.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.434 ' C ' ' CE2' ' A' ' 13' ' ' PHE . 14.7 mm100 -105.67 160.06 15.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 53.9 ttm-85 -80.31 -42.53 22.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 p -68.92 -14.83 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -86.8 -18.76 30.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -85.98 -63.62 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.435 HG22 ' N ' ' A' ' 30' ' ' GLN . 6.9 t -39.77 -43.58 1.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.435 ' N ' HG22 ' A' ' 29' ' ' THR . 13.0 mt-30 -60.98 -43.0 99.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -62.22 -49.17 76.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -50.62 -17.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 2.9 mmp_? -57.83 -44.22 86.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.0 m -48.88 -37.2 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -70.54 -26.63 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 p -82.05 -50.71 8.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -37.64 -89.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 39' ' ' LYS . 6.1 tt0 -70.03 117.79 12.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 0.0 110.918 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 38' ' ' GLU . 7.5 ptpt -34.37 143.9 0.2 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.58 0.705 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -17.17 37.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.664 2.243 . . . . 0.0 112.353 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.0 p -126.97 149.05 50.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.95 83.37 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 158.63 56.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.319 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -77.42 -61.06 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t -48.39 -62.37 1.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.495 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -109.05 117.71 34.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 m -122.52 153.44 39.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.4 171.14 25.88 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -151.98 136.29 16.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -97.62 167.91 10.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.52 94.39 0.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -85.85 97.08 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 0.0 111.116 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.38 102.59 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -109.82 125.68 53.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -103.13 144.01 27.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -20.26 35.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.339 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.458 ' CZ ' ' HG2' ' A' ' 25' ' ' ARG . 2.8 m-85 -122.38 152.43 40.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -155.57 142.18 18.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -82.89 123.22 29.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.53 32.44 5.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -125.82 -44.37 1.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.941 0.4 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -115.95 -44.93 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.33 30.8 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -100.52 127.64 46.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.5 p -108.82 137.81 46.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -123.39 165.9 16.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -90.26 -32.29 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -110.66 159.24 17.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG2' ' CZ ' ' A' ' 13' ' ' PHE . 52.6 mtt85 -73.57 -49.45 26.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.3 p -55.38 -25.78 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -75.25 -32.63 61.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.8 tp -76.94 -55.8 5.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 1.4 t -53.59 -40.41 65.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' N ' ' CG2' ' A' ' 29' ' ' THR . 55.5 mm-40 -70.29 -18.92 63.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -87.07 -33.78 19.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -58.67 -21.03 53.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' A' ' 30' ' ' GLN . 29.5 mtm105 -61.74 -18.7 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.9 m -75.41 -14.98 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -99.14 -29.31 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.0 p -96.62 142.15 29.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.35 -73.24 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -58.15 164.76 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -51.0 154.67 2.42 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.552 0.692 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 149.64 67.22 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.682 2.255 . . . . 0.0 112.389 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.5 t -172.28 149.03 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.68 -85.79 0.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -19.48 36.0 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.306 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.7 m -94.35 172.7 8.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -67.08 -53.23 32.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.47 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -120.96 91.15 3.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 110.829 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -132.96 120.69 21.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.15 64.97 0.59 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.531 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t -153.28 116.89 4.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.3 p -155.23 158.01 38.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.92 61.8 1.81 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.53 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.9 t -171.15 138.73 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 111.136 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.18 47.15 0.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -86.25 46.76 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.13 143.86 26.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -21.28 33.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 7.8 m-85 -110.22 139.33 45.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -151.94 141.71 21.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.4 t -96.43 113.44 25.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.77 -27.0 63.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 30.0 mm-40 -50.33 -49.78 52.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -120.49 -43.04 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.78 43.15 0.5 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -111.52 128.04 55.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.9 p -104.94 153.54 21.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -146.18 128.71 16.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -50.9 -40.11 55.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -96.48 154.49 17.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 35.7 ttt180 -76.71 -47.06 23.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.8 p -56.27 -17.79 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -83.04 -23.7 33.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 22.2 tp -89.04 -58.34 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 t -50.68 -36.74 37.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -72.5 -41.27 66.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -63.9 -44.71 92.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -46.53 -29.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -46.44 -36.81 6.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.558 HG23 ' CE1' ' A' ' 35' ' ' HIS . 32.2 m -52.53 -37.37 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CE1' HG23 ' A' ' 34' ' ' VAL . 15.1 m-70 -93.31 24.45 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 t -59.01 -30.55 68.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 45.82 52.11 9.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -45.08 167.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -77.9 144.09 67.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.696 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 109.86 2.42 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.297 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.3 p -40.98 -29.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.94 64.84 1.29 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 170.32 16.91 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.25 . . . . 0.0 112.328 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.4 m 44.05 44.25 6.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.3 m -135.08 171.15 14.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.484 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -140.34 170.28 16.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 110.796 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -153.17 124.87 7.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.67 -86.2 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.547 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m 45.04 41.84 5.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 110.871 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.0 p -105.74 42.19 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' C ' HG23 ' A' ' 8' ' ' THR . . . 69.4 -171.49 40.2 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.517 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.404 HG23 ' C ' ' A' ' 7' ' ' GLY . 76.2 p -155.25 110.11 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 111.133 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.16 159.53 27.83 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.462 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -149.82 142.89 24.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HD3' ' CA ' ' A' ' 22' ' ' TYR . 19.3 mttm -63.39 144.6 97.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.54 0.686 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -19.37 36.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.717 2.278 . . . . 0.0 112.32 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 9.0 m-85 -118.7 158.4 25.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -156.83 141.13 16.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 t -78.24 113.6 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.8 38.61 3.11 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -131.35 -49.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -118.98 -41.59 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.37 15.59 2.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 35.9 mttt -84.72 106.88 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -91.28 156.63 17.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.446 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 81.8 m-85 -143.96 146.03 32.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.436 ' ND2' ' H ' ' A' ' 23' ' ' ASN . 0.6 OUTLIER -69.92 -32.05 70.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.412 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 22.3 mt-30 -108.03 156.29 19.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 4.2 ptp180 -83.87 -38.68 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 p -66.26 -12.41 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.412 ' ND1' ' HB2' ' A' ' 24' ' ' GLN . 65.4 m170 -94.05 -24.93 17.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -78.95 -54.09 6.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 30' ' ' GLN . 4.4 t -49.36 -37.31 24.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.447 ' N ' HG23 ' A' ' 29' ' ' THR . 12.9 mm100 -68.48 -32.42 72.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.525 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 13.7 t60 -74.57 -45.63 44.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -49.42 -26.61 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -45.82 -24.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 m -71.63 -40.44 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -85.11 -33.41 22.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.8 p -46.04 156.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.53 68.4 1.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -53.15 141.44 23.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.906 0.384 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -65.05 144.09 99.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -37.79 8.71 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.9 p -168.36 160.14 11.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.27 68.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.532 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -37.36 9.16 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.2 t -126.22 84.2 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 t -68.25 107.07 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.481 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -94.34 42.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 m 52.88 42.08 31.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.31 118.84 0.81 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.1 p -97.26 116.55 29.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 m -138.3 123.87 19.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.16 76.7 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.8 m -44.02 -52.08 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 111.163 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.42 138.95 4.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -78.94 163.65 25.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -103.37 144.32 28.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.607 0.718 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -8.11 22.77 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.288 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 10.7 m-85 -136.26 140.17 43.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -151.13 128.77 11.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 t -71.17 104.98 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.25 42.89 2.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -130.67 -46.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.872 0.367 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -119.4 -41.02 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.85 36.33 0.78 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 17.9 mtpp -114.99 109.6 18.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.443 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 1.4 t -93.03 169.72 10.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.546 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 81.6 m-85 -153.62 124.25 7.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -44.09 -38.3 3.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -103.95 164.33 11.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 74.1 ttt180 -82.13 -45.65 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.6 p -51.86 -31.56 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.546 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 33.3 m170 -74.23 -24.79 59.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 61.1 tp -79.61 -57.71 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.427 HG22 ' N ' ' A' ' 30' ' ' GLN . 6.1 t -55.56 -41.11 72.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.427 ' N ' HG22 ' A' ' 29' ' ' THR . 26.8 mt-30 -67.78 -30.06 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.449 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 13.5 t60 -73.75 -33.05 64.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -59.28 -15.34 15.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -58.25 -14.21 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.44 HG23 ' CE1' ' A' ' 35' ' ' HIS . 21.0 m -83.39 -36.51 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' CE1' HG23 ' A' ' 34' ' ' VAL . 26.8 m-70 -88.83 -29.77 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 t -56.67 -38.27 71.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.74 -173.27 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.452 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -161.3 140.48 10.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 110.866 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 18.7 tttm -146.45 142.02 16.97 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.58 0.705 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.4 Cg_endo -69.68 159.43 53.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.732 2.288 . . . . 0.0 112.372 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.6 t -66.54 89.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 132.27 165.12 11.21 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 179.3 3.79 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 t -97.07 116.78 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 m -129.17 -51.06 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.538 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.4 p -129.81 129.11 43.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -136.64 167.47 21.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.55 -166.22 35.39 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 t -171.07 128.27 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -78.31 154.88 30.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.78 49.45 3.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.4 t -111.03 -17.74 13.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.85 66.47 0.24 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.511 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -125.15 150.68 46.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -61.08 153.05 68.74 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.551 0.691 . . . . 0.0 110.919 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -18.72 36.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 41.1 m-85 -125.04 158.25 34.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -155.89 139.52 16.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 2.1 t -83.84 108.23 16.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.8 45.25 3.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -133.13 -43.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.485 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 16.1 p -122.28 -42.91 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.59 49.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.536 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 29.1 mtpt -126.97 123.67 37.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.0 p -104.27 152.53 22.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 70.8 m-85 -135.31 147.06 49.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -57.26 -39.8 76.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -114.04 172.8 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 26.5 ptt180 -85.93 -42.16 14.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 p -56.05 -25.11 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.426 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 3.9 m-70 -82.34 -30.84 30.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.414 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 11.2 tp -75.29 -54.31 7.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 7.0 t -50.58 -46.03 57.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.468 ' N ' ' CG2' ' A' ' 29' ' ' THR . 33.0 mt-30 -58.67 -40.75 84.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.417 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 10.8 t60 -66.2 -44.4 84.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -49.24 -30.75 7.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 -47.18 -37.39 10.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 m -55.81 -41.03 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.485 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 37.6 m-70 -74.47 -25.33 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.0 p -105.87 88.62 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.99 35.44 1.83 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' HG3' ' N ' ' A' ' 39' ' ' LYS . 7.6 tp10 -75.84 151.52 37.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 11.6 ttpp -63.76 140.73 97.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 110.84 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.85 118.3 5.6 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -119.25 79.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.38 159.48 10.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.467 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.56 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.698 2.266 . . . . 0.0 112.323 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.9 m -85.75 171.01 11.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.8 m -122.0 122.19 38.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.526 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -108.04 100.23 9.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -99.49 93.05 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 160.91 -47.49 0.38 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.463 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 4' ' ' GLY . 78.4 p 35.53 42.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.843 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 t -41.99 139.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.21 166.84 29.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 t -69.26 147.92 50.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.352 . . . . 0.0 111.106 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.84 76.63 0.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -101.22 109.35 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -86.85 150.2 49.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -21.08 33.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.649 2.232 . . . . 0.0 112.313 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 12.8 m-85 -112.92 143.13 44.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -154.7 131.9 11.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.1 t -72.91 116.98 14.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.68 46.93 2.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.523 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.6 mm-40 -133.7 -39.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.907 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 p -130.91 -42.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.93 55.57 0.19 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.455 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 35.6 mttt -127.87 117.8 22.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.52 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 96.5 p -98.47 164.03 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 21' ' ' SER . 59.8 m-85 -156.35 120.6 4.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -42.94 -38.53 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -102.48 155.04 18.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.8 ptt85 -82.09 -39.66 23.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.17 -14.2 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -93.9 -29.33 15.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.1 tp -77.42 -51.12 11.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.435 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 5.2 t -55.8 -42.29 75.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.435 ' N ' ' CG2' ' A' ' 29' ' ' THR . 25.7 mm-40 -65.47 -36.42 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.496 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 12.7 t60 -66.41 -37.34 85.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -52.5 -17.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -56.84 -30.08 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.5 m -71.53 -17.47 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 19.7 m-70 -102.51 24.33 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -161.44 148.65 14.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.66 30.4 26.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -163.59 179.09 7.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.473 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 8.2 ttpt -52.17 140.7 32.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.529 0.68 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.73 80.2 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 40' ' ' PRO . 95.3 p 35.05 40.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -38.99 146.46 0.17 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 152.46 69.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.73 2.287 . . . . 0.0 112.375 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.3 m -127.33 117.35 22.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 87.5 p -52.84 102.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.481 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -133.87 100.67 4.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.887 0.375 . . . . 0.0 110.905 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 m -99.71 174.32 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.59 71.0 1.17 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.503 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -62.85 152.49 36.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -95.66 -56.15 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.05 121.67 2.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.7 p -123.57 38.5 4.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.845 0.355 . . . . 0.0 111.15 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.73 135.87 24.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.87 111.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.39 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' HD3' ' CA ' ' A' ' 22' ' ' TYR . 78.4 mttt -96.2 141.58 23.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -27.76 26.0 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.553 ' CE1' ' HG2' ' A' ' 25' ' ' ARG . 8.4 m-85 -98.03 151.29 20.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -155.72 127.19 7.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.6 t -79.79 105.62 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.27 -21.1 77.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -62.12 -51.51 67.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -114.54 -43.89 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.1 16.59 3.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -94.77 124.48 38.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.3 p -99.74 169.07 9.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.463 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 59.3 m-85 -147.9 161.03 42.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -87.84 -17.39 31.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -123.99 152.87 42.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.553 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 9.0 mtp-105 -72.75 -52.08 16.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.73 -22.54 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -83.95 -27.54 28.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 65.4 tp -79.78 -56.98 3.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.494 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 6.3 t -54.48 -47.32 73.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.494 ' N ' ' CG2' ' A' ' 29' ' ' THR . 14.5 mm100 -64.89 -31.55 72.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -72.33 -37.17 68.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -58.7 -20.22 46.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -53.96 -16.26 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 m -79.5 -27.66 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -101.62 -24.02 14.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.0 p -60.72 127.33 31.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.46 53.66 19.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -126.34 82.9 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -42.4 146.7 0.66 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 164.31 35.0 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 m -78.86 -50.36 11.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.45 -75.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 97.54 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.5 p -134.25 89.12 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.0 p -89.46 132.29 35.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.481 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -143.77 153.9 42.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.822 0.344 . . . . 0.0 110.881 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 m -91.21 132.47 36.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.67 116.81 9.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -158.09 132.43 8.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 110.924 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 t -158.04 129.7 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.62 103.44 0.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 p -52.11 154.91 2.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 111.12 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.92 -44.65 0.46 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 54.97 45.26 26.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.905 0.383 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 22' ' ' TYR . 21.2 mttp -37.14 153.37 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -12.81 33.62 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.323 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 18.0 m-85 -126.91 146.44 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.6 tttt -155.04 123.53 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -73.06 141.02 47.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.72 -24.95 10.25 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.545 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.6 mm-40 -52.88 -59.0 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.374 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -112.3 -43.68 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.13 45.18 0.34 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.535 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 26.7 mttt -111.24 125.59 53.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.4 p -103.72 153.61 20.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.415 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 34.0 m-85 -139.92 128.13 22.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -55.25 -21.34 13.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -114.76 157.28 23.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 4.7 tmm_? -81.77 -49.36 10.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.84 -17.16 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -84.71 -28.36 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.9 tp -74.73 -59.37 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -47.37 -34.33 6.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -71.07 -32.96 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.535 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 22.4 t60 -75.68 -37.67 59.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -55.99 -18.09 8.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -63.13 -15.78 57.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.532 HG23 ' CE1' ' A' ' 35' ' ' HIS . 35.9 m -80.04 -13.89 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.545 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 29.1 m-70 -110.3 24.8 12.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.3 t -173.22 118.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.407 ' O ' ' CG ' ' A' ' 38' ' ' GLU . . . -148.77 49.36 0.59 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 37' ' ' GLY . 10.6 pt-20 43.47 44.06 4.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.404 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -114.37 139.35 23.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.582 0.705 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 117.88 5.35 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 m -44.04 -63.99 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.19 174.63 20.81 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -0.06 6.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.24 . . . . 0.0 112.356 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.0 t -85.69 -53.42 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 46' ' ' GLY . 47.9 t -42.65 108.84 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -138.64 157.92 45.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.866 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 m -131.67 172.78 11.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.88 101.48 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -69.86 115.94 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -163.22 137.98 6.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.37 124.72 5.26 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.9 t -80.94 -43.46 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.53 -164.07 32.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.535 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -116.87 154.71 30.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -59.12 144.08 83.43 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.526 0.679 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -12.6 33.21 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.663 ' CZ ' ' CG ' ' A' ' 25' ' ' ARG . 11.7 m-85 -126.8 139.57 53.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -150.84 147.65 27.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -95.92 139.51 32.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.47 -21.66 23.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 14.4 mm-40 -57.68 -63.93 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.879 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -105.56 -44.61 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.9 31.46 1.02 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.505 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 49.4 mttm -97.32 127.89 43.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.7 p -105.72 156.47 18.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.502 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 78.1 m-85 -146.91 128.93 15.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -55.99 -33.52 64.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -100.65 165.76 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.663 ' CG ' ' CZ ' ' A' ' 13' ' ' PHE . 55.0 mtp180 -85.6 -53.52 5.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 p -49.62 -19.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.502 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 4.5 m170 -81.89 -35.91 28.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.4 tp -71.77 -57.72 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.405 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 6.9 t -54.1 -42.14 69.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.405 ' N ' ' CG2' ' A' ' 29' ' ' THR . 32.8 mt-30 -66.75 -33.91 76.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.505 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.9 t60 -68.8 -33.49 73.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.93 -12.96 20.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 13.1 mtp-105 -58.51 -13.26 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.6 m -92.81 -28.14 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.471 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 47.6 m-70 -94.88 20.64 8.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.5 t -149.21 144.13 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.91 -75.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -108.98 64.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.906 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -59.16 143.84 83.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.539 0.685 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 94.25 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.1 m -67.47 -53.74 26.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.63 136.17 50.59 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 144.83 55.11 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.676 2.251 . . . . 0.0 112.282 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.2 m -140.46 117.59 11.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -110.05 130.44 55.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.488 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -162.2 148.04 13.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.844 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -164.8 142.59 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.41 86.85 0.27 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -78.38 -52.76 8.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.377 . . . . 0.0 110.849 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 t -79.66 104.11 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.07 -46.95 5.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.2 p -123.07 -49.23 1.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 111.098 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.77 149.74 19.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.451 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -88.48 167.59 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.903 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.5 mmtp -74.38 133.82 77.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -22.05 32.6 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 49.4 m-85 -120.34 160.88 22.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -157.67 146.34 19.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.42 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 1.4 t -90.54 122.49 33.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.57 46.15 1.98 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.52 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.8 mm-40 -134.57 -45.43 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.933 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -123.73 -42.64 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.37 34.43 0.66 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 22.1 mttp -104.12 111.65 24.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.344 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.41 145.06 25.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -133.01 150.19 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -70.94 -33.66 70.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.963 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -116.25 134.04 55.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -62.29 -14.18 36.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.8 p -75.67 -31.34 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -85.14 -24.93 27.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 15.4 tp -76.39 -51.48 11.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.421 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 5.3 t -54.97 -41.6 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.421 ' N ' ' CG2' ' A' ' 29' ' ' THR . 8.5 mm100 -65.55 -26.94 68.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.495 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.0 t60 -78.86 -39.3 35.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -55.26 -14.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.6 mtt-85 -60.4 -28.91 68.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 m -66.84 -32.91 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 30.1 m-70 -81.26 -16.96 51.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 t -111.7 171.28 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.19 34.1 0.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.428 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -52.4 113.57 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 28.1 ttmt -141.95 141.73 22.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.535 0.683 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.2 Cg_endo -69.71 141.09 44.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 t -82.39 125.96 31.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -157.95 -167.7 19.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -46.93 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.6 m -58.48 95.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -127.85 -49.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.468 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.554 0.693 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.3 37.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.667 2.244 . . . . 0.0 112.338 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 14.3 m-85 -118.27 143.56 46.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -152.68 149.0 27.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.4 t -93.84 113.59 25.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.43 36.38 3.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 5.7 mp0 -124.94 -33.46 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.358 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 p -132.85 -41.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.58 46.31 0.45 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -120.84 115.1 22.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.1 p -98.17 157.8 15.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -146.81 129.46 16.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -46.36 -44.02 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -102.06 165.58 11.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 17.2 ptt-85 -86.62 -22.14 26.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 p -74.56 -19.27 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -90.96 -11.19 39.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 tp -94.63 -51.58 4.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -56.98 -39.8 75.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -69.89 -17.61 63.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -89.77 -40.3 12.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.81 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -56.66 -13.32 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 -55.52 -35.31 65.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.573 HG23 ' CD2' ' A' ' 35' ' ' HIS . 10.3 m -65.89 -15.66 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.573 ' CD2' HG23 ' A' ' 34' ' ' VAL . 20.1 m170 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.564 0.697 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -20.4 34.56 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.541 ' HB3' HD22 ' A' ' 28' ' ' LEU . 25.6 m-85 -120.94 163.34 18.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -161.0 147.79 15.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 t -91.99 107.69 19.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.431 ' C ' ' OE2' ' A' ' 17' ' ' GLU . . . -83.91 37.73 2.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.462 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.8 mp0 -124.92 -45.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 p -123.04 -42.82 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.64 33.87 0.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 47.3 mttt -106.79 108.4 19.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.1 152.07 20.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -139.76 157.38 45.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -76.47 -39.63 52.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -108.53 154.85 21.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -77.77 -38.55 46.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.9 p -59.34 -17.92 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -95.16 -27.04 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.541 HD22 ' HB3' ' A' ' 13' ' ' PHE . 24.8 tp -77.06 -48.96 16.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.472 HG23 ' N ' ' A' ' 30' ' ' GLN . 9.6 t -54.92 -42.77 72.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.472 ' N ' HG23 ' A' ' 29' ' ' THR . 12.9 mm100 -61.74 -35.8 79.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.54 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 20.7 t60 -71.23 -52.82 16.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -46.06 -21.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -48.26 -48.15 35.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.8 m -55.71 -24.99 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.462 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 30.4 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.581 0.705 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.73 37.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.499 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 25.5 m-85 -131.21 154.0 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -155.15 149.95 26.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.6 t -93.46 112.01 23.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.98 42.62 3.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -132.33 -56.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.935 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 17.4 p -106.5 -46.18 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 123.64 46.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 36.1 mttp -120.63 121.83 39.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.8 p -105.53 149.45 26.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -133.43 167.29 20.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -80.59 -42.56 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.968 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -107.6 157.17 18.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 22.6 ptt85 -74.71 -29.37 61.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.24 -26.59 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -82.42 -26.7 32.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 13' ' ' PHE . 24.2 tp -77.92 -55.35 5.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -54.89 -34.75 63.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -72.46 -22.47 61.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.506 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 14.0 t60 -87.42 -39.29 15.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.66 -17.29 32.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -57.34 -24.35 54.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.8 m -71.34 -32.72 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 23' ' ' ASN . 1.4 mptp? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.638 0.732 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -5.59 16.55 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.35 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.719 ' HB3' HD22 ' A' ' 28' ' ' LEU . 32.7 m-85 -130.46 143.22 50.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 26.7 ttpt -152.0 158.08 42.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.1 t -107.38 117.35 33.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.88 -21.49 79.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.4 mm-40 -59.46 -61.34 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -103.49 -46.23 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.24 31.28 1.09 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 49.5 mttt -91.36 177.87 6.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 p -153.84 146.45 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.502 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 93.6 m-85 -138.67 129.17 26.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.475 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 52.7 m-80 -43.82 -41.44 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -107.06 158.8 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 6.5 ptt-85 -74.84 -42.41 58.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.425 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 7.5 p -52.15 -33.95 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.502 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 27.9 m170 -72.99 -34.28 66.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.719 HD22 ' HB3' ' A' ' 13' ' ' PHE . 19.8 tp -73.01 -59.25 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -49.16 -39.66 29.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -70.97 -25.81 62.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.66 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.8 t60 -81.01 -34.17 33.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -55.53 -21.18 15.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -58.59 -32.45 68.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.5 m -59.12 -15.9 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.496 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 18.9 m80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.43 ' HD3' ' CA ' ' A' ' 22' ' ' TYR . 23.3 mttm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -16.45 37.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CE2' ' N ' ' A' ' 25' ' ' ARG . 4.2 m-85 -123.53 148.31 46.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -153.8 140.93 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 t -80.95 109.88 15.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.71 42.58 2.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -133.17 -52.23 0.89 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.899 0.381 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -111.39 -42.04 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.19 24.28 2.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 19.3 mttm -96.89 123.8 40.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 p -105.99 157.69 17.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.43 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 52.5 m-85 -143.2 153.26 42.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.34 -29.17 53.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -112.49 140.13 47.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.516 ' N ' ' CE2' ' A' ' 13' ' ' PHE . 47.9 ptt85 -63.68 -39.59 94.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.84 -30.21 49.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -73.39 -19.56 60.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 tp -86.63 -55.57 3.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -47.93 -31.96 5.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -74.86 -36.7 62.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.614 ' O ' HG22 ' A' ' 34' ' ' VAL . 7.2 t60 -68.16 -46.12 71.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -45.98 -23.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.2 mtp85 -57.65 -43.37 84.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 31' ' ' HIS . 14.9 m -49.04 -26.31 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -11.5 30.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.715 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.2 m-85 -126.66 143.77 51.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -152.03 136.27 16.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.35 114.52 19.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.28 46.03 3.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -133.61 -42.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.951 0.405 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.9 p -123.12 -42.85 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.19 43.07 0.37 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.508 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 24.4 mttt -119.09 123.17 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.8 p -106.77 158.25 17.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.403 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 90.3 m-85 -145.98 151.0 37.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -79.96 -30.57 39.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -104.42 153.3 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 78.8 mtt-85 -75.18 -45.18 42.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.464 ' O ' HG22 ' A' ' 26' ' ' VAL . 9.9 p -60.63 -9.96 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.403 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 5.7 m-70 -94.07 -26.83 16.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 13' ' ' PHE . 66.7 tp -81.93 -50.91 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -57.39 -37.59 72.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -73.19 -16.71 61.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.714 ' O ' HG22 ' A' ' 34' ' ' VAL . 36.8 t60 -92.65 -40.5 10.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -60.74 -24.21 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -63.43 -29.54 70.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.6 m -61.67 -16.44 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.895 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.615 0.722 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.326 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.613 ' HB3' HD22 ' A' ' 28' ' ' LEU . 8.9 m-85 -137.64 150.62 47.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 17.5 tttp -154.08 148.57 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.419 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 13.2 t -91.78 121.24 33.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.56 36.98 3.54 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.493 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.2 mm-40 -126.42 -44.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -120.53 -39.48 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.79 31.46 1.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 28.8 mttm -104.05 123.77 47.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.747 0.308 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 84.6 p -105.62 154.24 20.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -140.23 151.47 45.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -82.07 -6.76 59.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -131.58 130.33 42.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.582 ' N ' ' CE2' ' A' ' 13' ' ' PHE . 16.2 ptp180 -55.73 -41.84 74.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 p -55.96 -34.29 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -71.32 -32.52 68.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.613 HD22 ' HB3' ' A' ' 13' ' ' PHE . 35.2 tp -72.2 -58.84 3.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 4.5 t -52.78 -42.74 65.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.178 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' N ' ' CG2' ' A' ' 29' ' ' THR . 22.5 mm-40 -68.12 -36.2 79.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.814 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.1 t60 -70.51 -33.73 71.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -57.34 -14.82 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -58.3 -24.86 60.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.814 HG22 ' O ' ' A' ' 31' ' ' HIS . 29.3 m -75.72 -13.31 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 28.1 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.577 0.703 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -6.28 18.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 12.1 m-85 -143.04 146.22 33.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -151.12 144.71 24.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.5 t -87.42 125.27 34.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.41 44.08 1.91 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -130.79 -48.08 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.4 p -117.73 -43.3 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.97 48.86 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -119.62 129.58 54.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.7 p -107.37 146.69 31.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -136.24 133.37 36.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -60.73 -34.61 74.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -107.75 135.23 49.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 3.9 ptm85 -57.18 -43.88 83.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.8 p -60.46 -22.0 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.14 -15.04 52.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -93.11 -50.0 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 t -57.15 -35.05 69.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.21 -28.97 64.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -76.48 -40.36 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -53.86 -19.38 4.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -45.06 -47.07 11.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 m -57.7 -38.19 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HG2' ' C ' ' A' ' 22' ' ' TYR . 2.5 mptt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.557 0.694 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.52 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.79 -15.55 37.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.52 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 11.1 m-85 -119.64 151.35 38.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.3 tttt -154.37 146.79 23.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.667 ' HB2' HD11 ' A' ' 28' ' ' LEU . 24.4 t -97.92 117.55 32.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.97 -22.48 68.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.1 mm-40 -57.13 -56.81 16.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -111.47 -44.58 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.84 31.86 0.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -100.28 134.16 43.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.337 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 81.8 p -111.06 143.16 42.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.408 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 41.9 m-85 -128.99 144.01 51.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.97 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -58.85 -39.96 82.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -108.89 162.85 13.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.481 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 6.1 tpt180 -80.24 -45.13 18.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -54.39 -20.51 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -86.18 -23.02 26.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' A' ' 15' ' ' CYS . 37.3 tp -83.34 -55.03 4.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 t -51.14 -39.48 56.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -68.19 -38.81 82.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.484 ' O ' HG13 ' A' ' 34' ' ' VAL . 10.8 t60 -65.16 -46.78 79.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -45.69 -26.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -45.08 -37.93 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 31' ' ' HIS . 4.4 m -56.97 -37.07 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 19.3 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HG2' ' C ' ' A' ' 22' ' ' TYR . 7.6 mptt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.558 0.694 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -17.28 37.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.321 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 12.6 m-85 -123.36 163.61 20.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -159.22 124.38 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.1 t -68.32 115.21 7.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.446 ' C ' ' OE2' ' A' ' 17' ' ' GLU . . . -89.66 36.76 3.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.518 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 4.2 mp0 -123.93 -40.92 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.371 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.3 p -127.92 -41.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.71 30.51 0.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -106.69 108.92 20.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.4 p -90.47 156.12 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.411 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 35.9 m-85 -136.17 157.47 46.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -77.64 -35.25 52.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.434 ' C ' ' CE2' ' A' ' 13' ' ' PHE . 14.7 mm100 -105.67 160.06 15.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 53.9 ttm-85 -80.31 -42.53 22.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.442 ' O ' HG22 ' A' ' 26' ' ' VAL . 3.5 p -68.92 -14.83 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.8 -18.76 30.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -85.98 -63.62 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.485 HG23 ' N ' ' A' ' 30' ' ' GLN . 6.9 t -39.77 -43.58 1.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.485 ' N ' HG23 ' A' ' 29' ' ' THR . 13.0 mt-30 -60.98 -43.0 99.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -62.22 -49.17 76.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -50.62 -17.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 2.9 mmp_? -57.83 -44.22 86.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.0 m -48.88 -37.2 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 mptt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.579 0.704 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -20.26 35.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.339 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.486 ' CZ ' ' HG2' ' A' ' 25' ' ' ARG . 2.8 m-85 -122.38 152.43 40.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -155.57 142.18 18.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -82.89 123.22 29.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.53 32.44 5.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -125.82 -44.37 1.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.941 0.4 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -115.95 -44.93 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.33 30.8 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -100.52 127.64 46.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.5 p -108.82 137.81 46.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -123.39 165.9 16.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -90.26 -32.29 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -110.66 159.24 17.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.486 ' HG2' ' CZ ' ' A' ' 13' ' ' PHE . 52.6 mtt85 -73.57 -49.45 26.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.3 p -55.38 -25.78 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -75.25 -32.63 61.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.8 tp -76.94 -55.8 5.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 1.4 t -53.59 -40.41 65.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' N ' ' CG2' ' A' ' 29' ' ' THR . 55.5 mm-40 -70.29 -18.92 63.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.577 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.2 t60 -87.07 -33.78 19.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -58.67 -21.03 53.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 33' ' ' ARG . 29.5 mtm105 -61.74 -18.7 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.9 m -75.41 -14.98 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -21.28 33.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.536 ' HB3' HD22 ' A' ' 28' ' ' LEU . 7.8 m-85 -110.22 139.33 45.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -151.94 141.71 21.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.4 t -96.43 113.44 25.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.77 -27.0 63.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 30.0 mm-40 -50.33 -49.78 52.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -120.49 -43.04 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.78 43.15 0.5 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -111.52 128.04 55.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.9 p -104.94 153.54 21.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -146.18 128.71 16.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -50.9 -40.11 55.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -96.48 154.49 17.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 35.7 ttt180 -76.71 -47.06 23.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.556 HG22 ' OE1' ' A' ' 30' ' ' GLN . 9.8 p -56.27 -17.79 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -83.04 -23.7 33.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 13' ' ' PHE . 22.2 tp -89.04 -58.34 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 t -50.68 -36.74 37.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.556 ' OE1' HG22 ' A' ' 26' ' ' VAL . 74.1 mt-30 -72.5 -41.27 66.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.566 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.1 t60 -63.9 -44.71 92.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -46.53 -29.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -46.44 -36.81 6.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 31' ' ' HIS . 32.2 m -52.53 -37.37 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.458 ' CG ' HG23 ' A' ' 34' ' ' VAL . 15.1 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.462 ' HD3' ' CA ' ' A' ' 22' ' ' TYR . 19.3 mttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.54 0.686 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.72 -19.37 36.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.717 2.278 . . . . 0.0 112.32 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 9.0 m-85 -118.7 158.4 25.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -156.83 141.13 16.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 t -78.24 113.6 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.8 38.61 3.11 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -131.35 -49.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -118.98 -41.59 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.37 15.59 2.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.526 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 35.9 mttt -84.72 106.88 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -91.28 156.63 17.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.462 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 81.8 m-85 -143.96 146.03 32.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.511 ' ND2' ' H ' ' A' ' 23' ' ' ASN . 0.6 OUTLIER -69.92 -32.05 70.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.423 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 22.3 mt-30 -108.03 156.29 19.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 4.2 ptp180 -83.87 -38.68 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' ' 26' ' ' VAL . 5.2 p -66.26 -12.41 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.423 ' ND1' ' HB2' ' A' ' 24' ' ' GLN . 65.4 m170 -94.05 -24.93 17.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -78.95 -54.09 6.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.4 t -49.36 -37.31 24.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -68.48 -32.42 72.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.595 ' O ' HG13 ' A' ' 34' ' ' VAL . 13.7 t60 -74.57 -45.63 44.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -49.42 -26.61 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -45.82 -24.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 31' ' ' HIS . 4.4 m -71.63 -40.44 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.423 ' N ' HG23 ' A' ' 34' ' ' VAL . 32.4 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.607 0.718 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -8.11 22.77 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.288 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.747 ' HB3' HD22 ' A' ' 28' ' ' LEU . 10.7 m-85 -136.26 140.17 43.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -151.13 128.77 11.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 t -71.17 104.98 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.25 42.89 2.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -130.67 -46.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.872 0.367 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -119.4 -41.02 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.85 36.33 0.78 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 17.9 mtpp -114.99 109.6 18.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.443 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 1.4 t -93.03 169.72 10.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 81.6 m-85 -153.62 124.25 7.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -44.09 -38.3 3.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -103.95 164.33 11.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 74.1 ttt180 -82.13 -45.65 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.6 p -51.86 -31.56 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 33.3 m170 -74.23 -24.79 59.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.747 HD22 ' HB3' ' A' ' 13' ' ' PHE . 61.1 tp -79.61 -57.71 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 30' ' ' GLN . 6.1 t -55.56 -41.11 72.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.433 ' N ' HG23 ' A' ' 29' ' ' THR . 26.8 mt-30 -67.78 -30.06 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.486 ' O ' HG22 ' A' ' 34' ' ' VAL . 13.5 t60 -73.75 -33.05 64.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -59.28 -15.34 15.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -58.25 -14.21 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 31' ' ' HIS . 21.0 m -83.39 -36.51 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.403 ' ND1' HG23 ' A' ' 34' ' ' VAL . 26.8 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.43 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.551 0.691 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -18.72 36.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 41.1 m-85 -125.04 158.25 34.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -155.89 139.52 16.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 2.1 t -83.84 108.23 16.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.8 45.25 3.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -133.13 -43.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.482 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 16.1 p -122.28 -42.91 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.59 49.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.536 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 29.1 mtpt -126.97 123.67 37.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.0 p -104.27 152.53 22.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 70.8 m-85 -135.31 147.06 49.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -57.26 -39.8 76.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -114.04 172.8 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 26.5 ptt180 -85.93 -42.16 14.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.401 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.4 p -56.05 -25.11 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 11.3 m80 -82.34 -30.84 30.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 11.2 tp -75.29 -54.31 7.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 30' ' ' GLN . 7.0 t -50.58 -46.03 57.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.535 ' N ' HG23 ' A' ' 29' ' ' THR . 33.0 mt-30 -58.67 -40.75 84.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.583 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.8 t60 -66.2 -44.4 84.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -49.24 -30.75 7.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 -47.18 -37.39 10.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 31' ' ' HIS . 12.4 m -55.81 -41.03 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.482 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 37.6 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.4 mttp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.594 0.711 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -21.08 33.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.649 2.232 . . . . 0.0 112.313 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.49 ' HB3' HD22 ' A' ' 28' ' ' LEU . 12.8 m-85 -112.92 143.13 44.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -154.7 131.9 11.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.439 ' CA ' HD11 ' A' ' 28' ' ' LEU . 1.1 t -72.91 116.98 14.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.68 46.93 2.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.537 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.6 mm-40 -133.7 -39.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.907 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 p -130.91 -42.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.93 55.57 0.19 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.455 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 35.6 mttt -127.87 117.8 22.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.52 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 96.5 p -98.47 164.03 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 21' ' ' SER . 59.8 m-85 -156.35 120.6 4.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -42.94 -38.53 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -102.48 155.04 18.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.8 ptt85 -82.09 -39.66 23.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 26' ' ' VAL . 7.3 p -59.17 -14.2 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -93.9 -29.33 15.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 13' ' ' PHE . 33.1 tp -77.42 -51.12 11.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 30' ' ' GLN . 5.2 t -55.8 -42.29 75.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.438 ' N ' HG23 ' A' ' 29' ' ' THR . 25.7 mm-40 -65.47 -36.42 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.833 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.7 t60 -66.41 -37.34 85.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -52.5 -17.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -56.84 -30.08 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 31' ' ' HIS . 27.5 m -71.53 -17.47 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.537 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 19.7 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HD3' ' CA ' ' A' ' 22' ' ' TYR . 78.4 mttt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -27.76 26.0 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.915 ' HB3' HD22 ' A' ' 28' ' ' LEU . 8.4 m-85 -98.03 151.29 20.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -155.72 127.19 7.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.6 t -79.79 105.62 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.27 -21.1 77.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -62.12 -51.51 67.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -114.54 -43.89 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.1 16.59 3.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -94.77 124.48 38.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.3 p -99.74 169.07 9.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.464 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 59.3 m-85 -147.9 161.03 42.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -87.84 -17.39 31.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -123.99 152.87 42.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.576 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 9.0 mtp-105 -72.75 -52.08 16.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.73 -22.54 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -83.95 -27.54 28.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.915 HD22 ' HB3' ' A' ' 13' ' ' PHE . 65.4 tp -79.78 -56.98 3.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.556 HG23 ' N ' ' A' ' 30' ' ' GLN . 6.3 t -54.48 -47.32 73.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.556 ' N ' HG23 ' A' ' 29' ' ' THR . 14.5 mm100 -64.89 -31.55 72.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.601 ' O ' HG13 ' A' ' 34' ' ' VAL . 22.8 t60 -72.33 -37.17 68.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -58.7 -20.22 46.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -53.96 -16.26 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.601 HG13 ' O ' ' A' ' 31' ' ' HIS . 3.4 m -79.5 -27.66 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.583 ' CD2' HG23 ' A' ' 34' ' ' VAL . 10.9 m80 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 22' ' ' TYR . 21.2 mttp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.598 0.713 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -12.81 33.62 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.323 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.554 ' HB3' HD22 ' A' ' 28' ' ' LEU . 18.0 m-85 -126.91 146.44 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.6 tttt -155.04 123.53 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -73.06 141.02 47.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.72 -24.95 10.25 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.557 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.6 mm-40 -52.88 -59.0 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.374 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -112.3 -43.68 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.13 45.18 0.34 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.533 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 26.7 mttt -111.24 125.59 53.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.4 p -103.72 153.61 20.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.427 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 34.0 m-85 -139.92 128.13 22.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -55.25 -21.34 13.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -114.76 157.28 23.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 4.7 tmm_? -81.77 -49.36 10.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.84 -17.16 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -84.71 -28.36 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 13' ' ' PHE . 7.9 tp -74.73 -59.37 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -47.37 -34.33 6.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -71.07 -32.96 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.906 ' O ' HG22 ' A' ' 34' ' ' VAL . 22.4 t60 -75.68 -37.67 59.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -55.99 -18.09 8.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -63.13 -15.78 57.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.9 m -80.04 -13.89 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 29.1 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.6 mptt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.526 0.679 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -12.6 33.21 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.663 ' CZ ' ' CG ' ' A' ' 25' ' ' ARG . 11.7 m-85 -126.8 139.57 53.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -150.84 147.65 27.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -95.92 139.51 32.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.47 -21.66 23.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 14.4 mm-40 -57.68 -63.93 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.879 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -105.56 -44.61 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.9 31.46 1.02 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 49.4 mttm -97.32 127.89 43.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.7 p -105.72 156.47 18.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.511 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 78.1 m-85 -146.91 128.93 15.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -55.99 -33.52 64.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -100.65 165.76 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.663 ' CG ' ' CZ ' ' A' ' 13' ' ' PHE . 55.0 mtp180 -85.6 -53.52 5.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 p -49.62 -19.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.511 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 4.5 m170 -81.89 -35.91 28.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.653 HD22 ' HB3' ' A' ' 13' ' ' PHE . 65.4 tp -71.77 -57.72 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 30' ' ' GLN . 6.9 t -54.1 -42.14 69.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.455 ' N ' HG23 ' A' ' 29' ' ' THR . 32.8 mt-30 -66.75 -33.91 76.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.521 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.9 t60 -68.8 -33.49 73.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.93 -12.96 20.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 13.1 mtp-105 -58.51 -13.26 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.6 m -92.81 -28.14 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 47.6 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 22' ' ' TYR . 23.5 mmtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.591 0.71 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -22.05 32.6 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 49.4 m-85 -120.34 160.88 22.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -157.67 146.34 19.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 1.4 t -90.54 122.49 33.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.57 46.15 1.98 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.534 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.8 mm-40 -134.57 -45.43 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.933 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -123.73 -42.64 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.37 34.43 0.66 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 22.1 mttp -104.12 111.65 24.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.344 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.41 145.06 25.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.41 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 82.2 m-85 -133.01 150.19 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.94 -33.66 70.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.732 ' HB3' HG12 ' A' ' 26' ' ' VAL . 47.1 mm-40 -116.25 134.04 55.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -62.29 -14.18 36.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.732 HG12 ' HB3' ' A' ' 24' ' ' GLN . 10.8 p -75.67 -31.34 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -85.14 -24.93 27.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 15.4 tp -76.39 -51.48 11.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.421 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 5.3 t -54.97 -41.6 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.421 ' N ' ' CG2' ' A' ' 29' ' ' THR . 8.5 mm100 -65.55 -26.94 68.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.512 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.0 t60 -78.86 -39.3 35.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -55.26 -14.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.6 mtt-85 -60.4 -28.91 68.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 m -66.84 -32.91 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.534 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 30.1 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -148.71 120.88 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m -143.51 159.2 42.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.74 140.68 6.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -85.58 161.43 19.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 110.893 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 p -159.97 139.84 11.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.48 154.73 8.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.0 m -103.98 112.68 25.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 111.15 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.48 ' C ' ' CD ' ' A' ' 10' ' ' GLU . . . 118.33 -129.07 8.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.428 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.48 ' CD ' ' C ' ' A' ' 9' ' ' GLY . 1.7 pm0 -173.17 135.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.896 0.379 . . . . 0.0 110.897 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.2 143.97 49.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.693 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.3 37.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.667 2.244 . . . . 0.0 112.338 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 14.3 m-85 -118.27 143.56 46.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -152.68 149.0 27.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.4 t -93.84 113.59 25.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.43 36.38 3.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 5.7 mp0 -124.94 -33.46 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.358 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 p -132.85 -41.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.58 46.31 0.45 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -120.84 115.1 22.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.1 p -98.17 157.8 15.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -146.81 129.46 16.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -46.36 -44.02 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -102.06 165.58 11.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 17.2 ptt-85 -86.62 -22.14 26.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 p -74.56 -19.27 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -90.96 -11.19 39.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 tp -94.63 -51.58 4.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -56.98 -39.8 75.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -69.89 -17.61 63.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -89.77 -40.3 12.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.81 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -56.66 -13.32 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 -55.52 -35.31 65.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.405 HG23 ' CE1' ' A' ' 35' ' ' HIS . 10.3 m -65.89 -15.66 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' CE1' HG23 ' A' ' 34' ' ' VAL . 33.3 m-70 -102.72 5.01 38.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.1 p -149.41 117.35 6.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.19 -42.4 0.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.64 176.92 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.37 143.98 49.18 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -16.45 37.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -98.22 -61.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.83 -162.23 44.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 83.4 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -62.82 130.62 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 m -87.67 42.02 1.02 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.479 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -54.15 132.6 43.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 4' ' ' GLY . 3.6 m -128.43 68.05 1.37 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.832 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.59 -143.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 t -170.24 165.88 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.896 0.379 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 m -124.15 158.94 31.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.01 -69.42 0.4 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.2 m -83.63 102.02 11.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.817 0.341 . . . . 0.0 111.147 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.83 159.31 0.15 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.459 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.52 174.61 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.389 . . . . 0.0 110.835 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.16 145.06 33.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -20.4 34.56 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.541 ' HB3' HD22 ' A' ' 28' ' ' LEU . 25.6 m-85 -120.94 163.34 18.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -161.0 147.79 15.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 t -91.99 107.69 19.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.431 ' C ' ' OE2' ' A' ' 17' ' ' GLU . . . -83.91 37.73 2.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.462 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.8 mp0 -124.92 -45.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 p -123.04 -42.82 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.64 33.87 0.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 47.3 mttt -106.79 108.4 19.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.1 152.07 20.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -139.76 157.38 45.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -76.47 -39.63 52.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -108.53 154.85 21.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -77.77 -38.55 46.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.9 p -59.34 -17.92 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -95.16 -27.04 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.541 HD22 ' HB3' ' A' ' 13' ' ' PHE . 24.8 tp -77.06 -48.96 16.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.472 HG23 ' N ' ' A' ' 30' ' ' GLN . 9.6 t -54.92 -42.77 72.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.472 ' N ' HG23 ' A' ' 29' ' ' THR . 12.9 mm100 -61.74 -35.8 79.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.54 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 20.7 t60 -71.23 -52.82 16.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -46.06 -21.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -48.26 -48.15 35.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.8 m -55.71 -24.99 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.462 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 30.4 m-70 -89.91 -34.62 15.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.1 p -75.36 120.62 21.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.05 -166.76 38.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -114.66 129.23 56.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.09 144.05 51.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.588 0.709 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -43.45 2.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.715 2.276 . . . . 0.0 112.364 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -165.37 177.53 7.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.0 -158.4 13.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 90.39 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.8 t -169.3 151.47 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.3 t -65.69 138.53 58.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.456 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 t -128.04 137.7 52.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 m -69.08 124.76 24.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.51 55.13 0.66 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 6' ' ' SER . 2.0 t -81.12 -52.4 7.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.837 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 5' ' ' SER . 7.8 t -36.47 104.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.61 77.37 0.5 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.9 p -73.39 -48.63 32.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 111.139 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.9 107.99 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -89.44 81.71 6.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -98.36 143.89 27.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.73 37.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.499 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 25.5 m-85 -131.21 154.0 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -155.15 149.95 26.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.6 t -93.46 112.01 23.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.98 42.62 3.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -132.33 -56.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.935 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 17.4 p -106.5 -46.18 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 123.64 46.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 36.1 mttp -120.63 121.83 39.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.8 p -105.53 149.45 26.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -133.43 167.29 20.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -80.59 -42.56 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.968 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -107.6 157.17 18.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 22.6 ptt85 -74.71 -29.37 61.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.24 -26.59 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -82.42 -26.7 32.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 13' ' ' PHE . 24.2 tp -77.92 -55.35 5.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -54.89 -34.75 63.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -72.46 -22.47 61.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.506 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 14.0 t60 -87.42 -39.29 15.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.66 -17.29 32.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -57.34 -24.35 54.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.8 m -71.34 -32.72 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -88.59 0.43 56.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.24 112.4 16.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.44 -134.76 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -109.66 152.51 25.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.927 0.394 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -40.59 151.45 0.25 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -30.95 21.56 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.667 2.244 . . . . 0.0 112.401 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 t -60.17 133.93 56.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.07 173.57 55.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.14 47.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 t -56.31 141.75 40.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.9 p -106.13 165.17 11.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.516 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.9 m -156.45 123.41 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.382 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -166.74 125.41 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.39 -83.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 m -115.53 103.92 11.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.811 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 p -123.48 -58.49 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.03 50.04 8.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.5 m -45.58 114.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 111.204 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.9 -30.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 59.83 42.53 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 23' ' ' ASN . 1.4 mptp? -62.83 157.2 61.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.833 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -5.59 16.55 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.35 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.719 ' HB3' HD22 ' A' ' 28' ' ' LEU . 32.7 m-85 -130.46 143.22 50.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 26.7 ttpt -152.0 158.08 42.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.1 t -107.38 117.35 33.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.88 -21.49 79.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.4 mm-40 -59.46 -61.34 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -103.49 -46.23 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.24 31.28 1.09 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 49.5 mttt -91.36 177.87 6.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 p -153.84 146.45 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.502 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 93.6 m-85 -138.67 129.17 26.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.475 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 52.7 m-80 -43.82 -41.44 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -107.06 158.8 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 6.5 ptt-85 -74.84 -42.41 58.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.425 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 7.5 p -52.15 -33.95 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.502 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 27.9 m170 -72.99 -34.28 66.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.719 HD22 ' HB3' ' A' ' 13' ' ' PHE . 19.8 tp -73.01 -59.25 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -49.16 -39.66 29.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -70.97 -25.81 62.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.66 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.8 t60 -81.01 -34.17 33.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -55.53 -21.18 15.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -58.59 -32.45 68.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.5 m -59.12 -15.9 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 49.1 m-70 -108.99 -26.63 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' GLY . 16.9 p -107.71 42.97 1.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -35.77 108.97 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -89.11 161.93 16.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -154.54 143.8 15.07 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.558 0.694 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -38.76 7.3 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.1 t -52.29 112.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.18 149.29 7.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.449 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -16.68 37.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.7 p -63.91 -52.41 59.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -99.68 27.62 5.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.494 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 m -99.86 175.45 5.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.848 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 p -137.52 152.74 49.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.58 39.69 0.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.9 p -91.0 100.66 13.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 110.814 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 8.3 t -87.81 80.42 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.91 75.29 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.3 m -82.76 -62.46 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 111.147 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.28 90.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.29 125.79 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' HD3' ' CA ' ' A' ' 22' ' ' TYR . 23.3 mttm -102.17 145.56 30.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -16.45 37.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CE2' ' N ' ' A' ' 25' ' ' ARG . 4.2 m-85 -123.53 148.31 46.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -153.8 140.93 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 t -80.95 109.88 15.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.71 42.58 2.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -133.17 -52.23 0.89 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.899 0.381 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -111.39 -42.04 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.19 24.28 2.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 19.3 mttm -96.89 123.8 40.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 p -105.99 157.69 17.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.43 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 52.5 m-85 -143.2 153.26 42.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.34 -29.17 53.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -112.49 140.13 47.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.516 ' N ' ' CE2' ' A' ' 13' ' ' PHE . 47.9 ptt85 -63.68 -39.59 94.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.84 -30.21 49.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -73.39 -19.56 60.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 tp -86.63 -55.57 3.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -47.93 -31.96 5.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -74.86 -36.7 62.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.614 ' O ' HG22 ' A' ' 34' ' ' VAL . 7.2 t60 -68.16 -46.12 71.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -45.98 -23.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.595 ' O ' HG23 ' A' ' 36' ' ' THR . 70.2 mtp85 -57.65 -43.37 84.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 31' ' ' HIS . 14.9 m -49.04 -26.31 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -84.78 24.37 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 33' ' ' ARG . 7.9 p -85.45 113.97 22.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.75 117.99 5.16 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.446 ' CD ' ' O ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -93.07 39.15 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.908 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.78 149.85 60.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.619 0.723 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 132.54 23.6 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.0 t -78.73 99.75 6.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.59 166.27 11.61 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.6 Cg_endo -69.75 121.78 8.47 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' PRO . 11.9 t -36.42 140.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -52.93 141.74 21.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.491 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -115.7 161.21 19.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.367 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -111.28 158.21 19.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.51 -122.69 0.84 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 p -127.7 125.08 39.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -83.7 -47.77 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.85 157.6 14.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.514 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 m -127.68 92.9 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.348 . . . . 0.0 111.154 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.83 167.85 20.3 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -132.85 85.04 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.967 0.413 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.83 143.97 27.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -11.5 30.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.715 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.2 m-85 -126.66 143.77 51.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -152.03 136.27 16.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.35 114.52 19.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.28 46.03 3.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -133.61 -42.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.951 0.405 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.9 p -123.12 -42.85 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.19 43.07 0.37 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.508 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 24.4 mttt -119.09 123.17 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.8 p -106.77 158.25 17.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.403 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 90.3 m-85 -145.98 151.0 37.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -79.96 -30.57 39.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -104.42 153.3 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 78.8 mtt-85 -75.18 -45.18 42.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.464 ' O ' HG22 ' A' ' 26' ' ' VAL . 9.9 p -60.63 -9.96 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.403 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 5.7 m-70 -94.07 -26.83 16.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 13' ' ' PHE . 66.7 tp -81.93 -50.91 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -57.39 -37.59 72.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -73.19 -16.71 61.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.714 ' O ' HG22 ' A' ' 34' ' ' VAL . 36.8 t60 -92.65 -40.5 10.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -60.74 -24.21 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -63.43 -29.54 70.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.6 m -61.67 -16.44 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -98.64 -21.61 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 p -110.8 80.86 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 40.64 -156.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 39' ' ' LYS . 14.3 tt0 -127.98 128.37 44.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.389 . . . . 0.0 110.861 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 38' ' ' GLU . 49.6 pttt -37.72 143.95 0.36 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.577 0.703 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 126.16 12.99 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.25 . . . . 0.0 112.369 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -52.15 138.45 25.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.63 -158.62 11.74 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -10.74 29.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.641 2.227 . . . . 0.0 112.369 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.7 p -89.56 43.12 1.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -51.74 -51.46 55.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.491 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -82.24 138.19 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 m -41.88 -55.48 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.45 -33.82 0.99 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m 43.14 50.03 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 110.834 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -114.06 94.92 5.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.26 77.39 0.26 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.3 p -105.7 -51.46 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 0.0 111.126 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 168.77 152.53 7.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -106.75 127.48 53.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.8 OUTLIER -79.69 143.87 59.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.722 . . . . 0.0 110.869 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.326 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.613 ' HB3' HD22 ' A' ' 28' ' ' LEU . 8.9 m-85 -137.64 150.62 47.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 17.5 tttp -154.08 148.57 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.419 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 13.2 t -91.78 121.24 33.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.56 36.98 3.54 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.493 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.2 mm-40 -126.42 -44.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -120.53 -39.48 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.79 31.46 1.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 28.8 mttm -104.05 123.77 47.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.747 0.308 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 84.6 p -105.62 154.24 20.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -140.23 151.47 45.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -82.07 -6.76 59.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -131.58 130.33 42.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.582 ' N ' ' CE2' ' A' ' 13' ' ' PHE . 16.2 ptp180 -55.73 -41.84 74.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 p -55.96 -34.29 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -71.32 -32.52 68.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.613 HD22 ' HB3' ' A' ' 13' ' ' PHE . 35.2 tp -72.2 -58.84 3.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 4.5 t -52.78 -42.74 65.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.178 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' N ' ' CG2' ' A' ' 29' ' ' THR . 22.5 mm-40 -68.12 -36.2 79.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.814 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.1 t60 -70.51 -33.73 71.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.561 ' O ' HG22 ' A' ' 36' ' ' THR . 36.6 mt-30 -57.34 -14.82 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -58.3 -24.86 60.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.814 HG22 ' O ' ' A' ' 31' ' ' HIS . 29.3 m -75.72 -13.31 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 28.1 m-70 -110.05 -21.56 12.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 36' ' ' THR . 9.2 t -127.85 98.71 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 179.55 -112.56 0.36 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.522 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 37' ' ' GLY . 20.4 tt0 38.12 46.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.936 0.398 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.44 143.76 16.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.703 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 144.21 53.41 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 2.275 . . . . 0.0 112.368 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 t -113.12 -177.06 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.21 -95.03 0.61 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.539 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.19 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.736 2.291 . . . . 0.0 112.329 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 m -159.04 158.13 32.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.0 p -106.17 170.13 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.517 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -94.65 177.63 5.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 t -68.78 93.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.15 148.91 19.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.539 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -168.2 134.13 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 110.861 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -51.85 165.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.38 75.71 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.6 m -55.13 105.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.3 140.55 16.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -103.77 18.83 21.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.889 0.376 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -81.83 146.6 56.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.577 0.703 . . . . 0.0 110.889 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -6.28 18.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 12.1 m-85 -143.04 146.22 33.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -151.12 144.71 24.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.5 t -87.42 125.27 34.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.41 44.08 1.91 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -130.79 -48.08 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.4 p -117.73 -43.3 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.97 48.86 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -119.62 129.58 54.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.7 p -107.37 146.69 31.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -136.24 133.37 36.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -60.73 -34.61 74.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -107.75 135.23 49.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 3.9 ptm85 -57.18 -43.88 83.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.8 p -60.46 -22.0 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -83.14 -15.04 52.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -93.11 -50.0 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 t -57.15 -35.05 69.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.21 -28.97 64.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -76.48 -40.36 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -53.86 -19.38 4.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -45.06 -47.07 11.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 m -57.7 -38.19 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -76.92 -10.24 59.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 p -124.8 47.76 2.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.74 172.91 40.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 73.78 37.43 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -141.3 143.98 32.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.688 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -37.2 9.33 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t 54.85 35.35 24.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.74 -160.53 30.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -4.74 14.6 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.754 2.303 . . . . 0.0 112.328 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 m -48.19 -37.83 16.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.5 m -98.05 112.65 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.485 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -73.98 169.57 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -155.18 129.54 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.75 -124.04 1.52 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.0 p 39.51 51.59 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.817 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -85.5 50.12 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.9 51.28 50.6 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.2 m -82.41 -58.0 3.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.818 0.342 . . . . 0.0 111.135 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.44 -165.14 51.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -143.62 154.0 43.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HG2' ' C ' ' A' ' 22' ' ' TYR . 2.5 mptt -129.99 143.82 50.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.557 0.694 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.52 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.79 -15.55 37.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.52 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 11.1 m-85 -119.64 151.35 38.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.3 tttt -154.37 146.79 23.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.667 ' HB2' HD11 ' A' ' 28' ' ' LEU . 24.4 t -97.92 117.55 32.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.97 -22.48 68.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.1 mm-40 -57.13 -56.81 16.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -111.47 -44.58 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.84 31.86 0.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -100.28 134.16 43.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.337 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 81.8 p -111.06 143.16 42.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.408 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 41.9 m-85 -128.99 144.01 51.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.97 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -58.85 -39.96 82.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -108.89 162.85 13.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.481 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 6.1 tpt180 -80.24 -45.13 18.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -54.39 -20.51 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -86.18 -23.02 26.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' A' ' 15' ' ' CYS . 37.3 tp -83.34 -55.03 4.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 t -51.14 -39.48 56.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -68.19 -38.81 82.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.484 ' O ' HG13 ' A' ' 34' ' ' VAL . 10.8 t60 -65.16 -46.78 79.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -45.69 -26.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -45.08 -37.93 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 31' ' ' HIS . 4.4 m -56.97 -37.07 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 19.3 m-70 -91.97 -27.77 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.4 p -101.53 107.56 18.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.82 -64.82 0.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -87.75 92.84 9.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.93 0.395 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -147.94 146.92 25.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.621 0.724 . . . . 0.0 110.854 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.59 29.46 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -112.13 83.36 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.827 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.77 169.29 24.45 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.1 Cg_endo -69.76 -22.26 32.32 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.644 2.229 . . . . 0.0 112.356 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' PRO . 6.8 t -35.6 -54.87 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.0 p -56.01 109.01 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.514 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p 39.44 42.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.6 p -98.67 126.08 44.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.66 -147.41 6.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.522 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -83.19 131.31 35.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m -104.01 -60.55 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.79 132.54 2.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.9 m -100.79 86.0 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 111.186 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.12 55.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -49.83 176.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HG2' ' C ' ' A' ' 22' ' ' TYR . 7.6 mptt -123.58 145.67 47.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -17.28 37.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.321 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 12.6 m-85 -123.36 163.61 20.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -159.22 124.38 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.1 t -68.32 115.21 7.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.446 ' C ' ' OE2' ' A' ' 17' ' ' GLU . . . -89.66 36.76 3.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.518 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 4.2 mp0 -123.93 -40.92 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.371 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.3 p -127.92 -41.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.71 30.51 0.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -106.69 108.92 20.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.4 p -90.47 156.12 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.411 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 35.9 m-85 -136.17 157.47 46.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -77.64 -35.25 52.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.434 ' C ' ' CE2' ' A' ' 13' ' ' PHE . 14.7 mm100 -105.67 160.06 15.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 53.9 ttm-85 -80.31 -42.53 22.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.442 ' O ' HG22 ' A' ' 26' ' ' VAL . 3.5 p -68.92 -14.83 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.8 -18.76 30.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -85.98 -63.62 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.485 HG23 ' N ' ' A' ' 30' ' ' GLN . 6.9 t -39.77 -43.58 1.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.485 ' N ' HG23 ' A' ' 29' ' ' THR . 13.0 mt-30 -60.98 -43.0 99.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -62.22 -49.17 76.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -50.62 -17.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 2.9 mmp_? -57.83 -44.22 86.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.0 m -48.88 -37.2 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -70.54 -26.63 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 p -82.05 -50.71 8.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -37.64 -89.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 39' ' ' LYS . 6.1 tt0 -70.03 117.79 12.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 0.0 110.918 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 38' ' ' GLU . 7.5 ptpt -34.37 143.9 0.2 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.58 0.705 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -17.17 37.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.664 2.243 . . . . 0.0 112.353 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.0 p -126.97 149.05 50.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.95 83.37 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 158.63 56.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.319 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -77.42 -61.06 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t -48.39 -62.37 1.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.495 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -109.05 117.71 34.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 m -122.52 153.44 39.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.4 171.14 25.88 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -151.98 136.29 16.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -97.62 167.91 10.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.52 94.39 0.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -85.85 97.08 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 0.0 111.116 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.38 102.59 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -109.82 125.68 53.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -103.13 144.01 27.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -20.26 35.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.339 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.486 ' CZ ' ' HG2' ' A' ' 25' ' ' ARG . 2.8 m-85 -122.38 152.43 40.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -155.57 142.18 18.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -82.89 123.22 29.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.53 32.44 5.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -125.82 -44.37 1.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.941 0.4 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -115.95 -44.93 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.33 30.8 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -100.52 127.64 46.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.5 p -108.82 137.81 46.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -123.39 165.9 16.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -90.26 -32.29 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -110.66 159.24 17.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.486 ' HG2' ' CZ ' ' A' ' 13' ' ' PHE . 52.6 mtt85 -73.57 -49.45 26.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.3 p -55.38 -25.78 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -75.25 -32.63 61.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.8 tp -76.94 -55.8 5.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 1.4 t -53.59 -40.41 65.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' N ' ' CG2' ' A' ' 29' ' ' THR . 55.5 mm-40 -70.29 -18.92 63.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.577 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.2 t60 -87.07 -33.78 19.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -58.67 -21.03 53.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 33' ' ' ARG . 29.5 mtm105 -61.74 -18.7 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.9 m -75.41 -14.98 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -99.14 -29.31 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.0 p -96.62 142.15 29.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.35 -73.24 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -58.15 164.76 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -51.0 154.67 2.42 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.552 0.692 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 149.64 67.22 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.682 2.255 . . . . 0.0 112.389 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.5 t -172.28 149.03 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.68 -85.79 0.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -19.48 36.0 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.306 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.7 m -94.35 172.7 8.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -67.08 -53.23 32.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.47 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -120.96 91.15 3.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 110.829 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -132.96 120.69 21.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.15 64.97 0.59 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.531 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t -153.28 116.89 4.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.3 p -155.23 158.01 38.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.92 61.8 1.81 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.53 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.9 t -171.15 138.73 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 111.136 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.18 47.15 0.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -86.25 46.76 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.13 143.86 26.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -21.28 33.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.536 ' HB3' HD22 ' A' ' 28' ' ' LEU . 7.8 m-85 -110.22 139.33 45.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -151.94 141.71 21.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.4 t -96.43 113.44 25.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.77 -27.0 63.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 30.0 mm-40 -50.33 -49.78 52.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -120.49 -43.04 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.78 43.15 0.5 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -111.52 128.04 55.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.9 p -104.94 153.54 21.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -146.18 128.71 16.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -50.9 -40.11 55.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -96.48 154.49 17.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 35.7 ttt180 -76.71 -47.06 23.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.556 HG22 ' OE1' ' A' ' 30' ' ' GLN . 9.8 p -56.27 -17.79 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -83.04 -23.7 33.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 13' ' ' PHE . 22.2 tp -89.04 -58.34 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 t -50.68 -36.74 37.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.556 ' OE1' HG22 ' A' ' 26' ' ' VAL . 74.1 mt-30 -72.5 -41.27 66.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.566 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.1 t60 -63.9 -44.71 92.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -46.53 -29.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -46.44 -36.81 6.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 31' ' ' HIS . 32.2 m -52.53 -37.37 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.458 ' CG ' HG23 ' A' ' 34' ' ' VAL . 15.1 m-70 -93.31 24.45 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 t -59.01 -30.55 68.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 45.82 52.11 9.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -45.08 167.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -77.9 144.09 67.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.696 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 109.86 2.42 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.297 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.3 p -40.98 -29.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.94 64.84 1.29 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 170.32 16.91 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.25 . . . . 0.0 112.328 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.4 m 44.05 44.25 6.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.3 m -135.08 171.15 14.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.484 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -140.34 170.28 16.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 110.796 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -153.17 124.87 7.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.67 -86.2 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.547 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m 45.04 41.84 5.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 110.871 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.0 p -105.74 42.19 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.4 -171.49 40.2 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.2 p -155.25 110.11 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 111.133 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.16 159.53 27.83 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.462 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -149.82 142.89 24.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' HD3' ' CA ' ' A' ' 22' ' ' TYR . 19.3 mttm -63.39 144.6 97.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.54 0.686 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.72 -19.37 36.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.717 2.278 . . . . 0.0 112.32 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 9.0 m-85 -118.7 158.4 25.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -156.83 141.13 16.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 t -78.24 113.6 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.8 38.61 3.11 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -131.35 -49.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -118.98 -41.59 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.37 15.59 2.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.526 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 35.9 mttt -84.72 106.88 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -91.28 156.63 17.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.462 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 81.8 m-85 -143.96 146.03 32.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.511 ' ND2' ' H ' ' A' ' 23' ' ' ASN . 0.6 OUTLIER -69.92 -32.05 70.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.423 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 22.3 mt-30 -108.03 156.29 19.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 4.2 ptp180 -83.87 -38.68 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' ' 26' ' ' VAL . 5.2 p -66.26 -12.41 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.423 ' ND1' ' HB2' ' A' ' 24' ' ' GLN . 65.4 m170 -94.05 -24.93 17.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -78.95 -54.09 6.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.4 t -49.36 -37.31 24.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -68.48 -32.42 72.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.595 ' O ' HG13 ' A' ' 34' ' ' VAL . 13.7 t60 -74.57 -45.63 44.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.421 ' O ' HG23 ' A' ' 36' ' ' THR . 80.4 mt-30 -49.42 -26.61 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -45.82 -24.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 31' ' ' HIS . 4.4 m -71.63 -40.44 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.423 ' N ' HG23 ' A' ' 34' ' ' VAL . 32.4 m-70 -85.11 -33.41 22.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 32' ' ' GLN . 76.8 p -46.04 156.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.53 68.4 1.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -53.15 141.44 23.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.906 0.384 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -65.05 144.09 99.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -37.79 8.71 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.9 p -168.36 160.14 11.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.27 68.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.532 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -37.36 9.16 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.2 t -126.22 84.2 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 t -68.25 107.07 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.481 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -94.34 42.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 m 52.88 42.08 31.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.31 118.84 0.81 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.1 p -97.26 116.55 29.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 m -138.3 123.87 19.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.16 76.7 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.8 m -44.02 -52.08 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 111.163 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.42 138.95 4.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -78.94 163.65 25.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -103.37 144.32 28.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.607 0.718 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -8.11 22.77 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.288 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.747 ' HB3' HD22 ' A' ' 28' ' ' LEU . 10.7 m-85 -136.26 140.17 43.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -151.13 128.77 11.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 t -71.17 104.98 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.25 42.89 2.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -130.67 -46.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.872 0.367 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -119.4 -41.02 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.85 36.33 0.78 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 17.9 mtpp -114.99 109.6 18.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.443 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 1.4 t -93.03 169.72 10.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 81.6 m-85 -153.62 124.25 7.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -44.09 -38.3 3.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -103.95 164.33 11.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 74.1 ttt180 -82.13 -45.65 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.6 p -51.86 -31.56 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 33.3 m170 -74.23 -24.79 59.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.747 HD22 ' HB3' ' A' ' 13' ' ' PHE . 61.1 tp -79.61 -57.71 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 30' ' ' GLN . 6.1 t -55.56 -41.11 72.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.433 ' N ' HG23 ' A' ' 29' ' ' THR . 26.8 mt-30 -67.78 -30.06 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.486 ' O ' HG22 ' A' ' 34' ' ' VAL . 13.5 t60 -73.75 -33.05 64.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -59.28 -15.34 15.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -58.25 -14.21 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 31' ' ' HIS . 21.0 m -83.39 -36.51 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' ND1' HG23 ' A' ' 34' ' ' VAL . 26.8 m-70 -88.83 -29.77 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 t -56.67 -38.27 71.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.74 -173.27 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.452 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -161.3 140.48 10.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 110.866 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 18.7 tttm -146.45 142.02 16.97 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.58 0.705 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.4 Cg_endo -69.68 159.43 53.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.732 2.288 . . . . 0.0 112.372 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.6 t -66.54 89.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 132.27 165.12 11.21 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 179.3 3.79 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 t -97.07 116.78 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 m -129.17 -51.06 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.538 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.4 p -129.81 129.11 43.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -136.64 167.47 21.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.55 -166.22 35.39 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 t -171.07 128.27 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -78.31 154.88 30.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.78 49.45 3.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.4 t -111.03 -17.74 13.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.85 66.47 0.24 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.511 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -125.15 150.68 46.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -61.08 153.05 68.74 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.551 0.691 . . . . 0.0 110.919 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -18.72 36.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 41.1 m-85 -125.04 158.25 34.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -155.89 139.52 16.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 2.1 t -83.84 108.23 16.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.8 45.25 3.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -133.13 -43.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.482 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 16.1 p -122.28 -42.91 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.59 49.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.536 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 29.1 mtpt -126.97 123.67 37.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.0 p -104.27 152.53 22.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 70.8 m-85 -135.31 147.06 49.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -57.26 -39.8 76.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -114.04 172.8 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 26.5 ptt180 -85.93 -42.16 14.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.401 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.4 p -56.05 -25.11 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 11.3 m80 -82.34 -30.84 30.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 11.2 tp -75.29 -54.31 7.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 30' ' ' GLN . 7.0 t -50.58 -46.03 57.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.535 ' N ' HG23 ' A' ' 29' ' ' THR . 33.0 mt-30 -58.67 -40.75 84.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.583 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.8 t60 -66.2 -44.4 84.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -49.24 -30.75 7.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 -47.18 -37.39 10.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 31' ' ' HIS . 12.4 m -55.81 -41.03 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.482 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 37.6 m-70 -74.47 -25.33 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.0 p -105.87 88.62 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.99 35.44 1.83 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 39' ' ' LYS . 7.6 tp10 -75.84 151.52 37.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 11.6 ttpp -63.76 140.73 97.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 110.84 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.85 118.3 5.6 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -119.25 79.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.38 159.48 10.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.467 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.56 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.698 2.266 . . . . 0.0 112.323 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.9 m -85.75 171.01 11.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.8 m -122.0 122.19 38.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.526 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -108.04 100.23 9.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -99.49 93.05 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 160.91 -47.49 0.38 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.463 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 4' ' ' GLY . 78.4 p 35.53 42.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.843 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 t -41.99 139.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.21 166.84 29.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 t -69.26 147.92 50.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.352 . . . . 0.0 111.106 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.84 76.63 0.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -101.22 109.35 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -86.85 150.2 49.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -21.08 33.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.649 2.232 . . . . 0.0 112.313 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.49 ' HB3' HD22 ' A' ' 28' ' ' LEU . 12.8 m-85 -112.92 143.13 44.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -154.7 131.9 11.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.439 ' CA ' HD11 ' A' ' 28' ' ' LEU . 1.1 t -72.91 116.98 14.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.68 46.93 2.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.537 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.6 mm-40 -133.7 -39.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.907 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 p -130.91 -42.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.93 55.57 0.19 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.455 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 35.6 mttt -127.87 117.8 22.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.52 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 96.5 p -98.47 164.03 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 21' ' ' SER . 59.8 m-85 -156.35 120.6 4.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -42.94 -38.53 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -102.48 155.04 18.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.8 ptt85 -82.09 -39.66 23.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 26' ' ' VAL . 7.3 p -59.17 -14.2 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -93.9 -29.33 15.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 13' ' ' PHE . 33.1 tp -77.42 -51.12 11.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 30' ' ' GLN . 5.2 t -55.8 -42.29 75.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.438 ' N ' HG23 ' A' ' 29' ' ' THR . 25.7 mm-40 -65.47 -36.42 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.833 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.7 t60 -66.41 -37.34 85.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.516 ' O ' HG22 ' A' ' 36' ' ' THR . 79.6 mt-30 -52.5 -17.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -56.84 -30.08 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 31' ' ' HIS . 27.5 m -71.53 -17.47 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.537 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 19.7 m-70 -102.51 24.33 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -161.44 148.65 14.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.66 30.4 26.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -163.59 179.09 7.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.481 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 8.2 ttpt -52.17 140.7 32.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.529 0.68 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.481 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.73 80.2 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 40' ' ' PRO . 95.3 p 35.05 40.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -38.99 146.46 0.17 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 152.46 69.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.73 2.287 . . . . 0.0 112.375 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.3 m -127.33 117.35 22.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 87.5 p -52.84 102.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.481 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -133.87 100.67 4.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.887 0.375 . . . . 0.0 110.905 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 m -99.71 174.32 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.59 71.0 1.17 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.503 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -62.85 152.49 36.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -95.66 -56.15 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.05 121.67 2.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.7 p -123.57 38.5 4.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.845 0.355 . . . . 0.0 111.15 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.73 135.87 24.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.87 111.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.39 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HD3' ' CA ' ' A' ' 22' ' ' TYR . 78.4 mttt -96.2 141.58 23.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -27.76 26.0 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.915 ' HB3' HD22 ' A' ' 28' ' ' LEU . 8.4 m-85 -98.03 151.29 20.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -155.72 127.19 7.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.6 t -79.79 105.62 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.27 -21.1 77.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -62.12 -51.51 67.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -114.54 -43.89 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.1 16.59 3.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -94.77 124.48 38.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.3 p -99.74 169.07 9.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.464 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 59.3 m-85 -147.9 161.03 42.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -87.84 -17.39 31.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -123.99 152.87 42.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.576 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 9.0 mtp-105 -72.75 -52.08 16.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.73 -22.54 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -83.95 -27.54 28.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.915 HD22 ' HB3' ' A' ' 13' ' ' PHE . 65.4 tp -79.78 -56.98 3.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.556 HG23 ' N ' ' A' ' 30' ' ' GLN . 6.3 t -54.48 -47.32 73.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.556 ' N ' HG23 ' A' ' 29' ' ' THR . 14.5 mm100 -64.89 -31.55 72.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.601 ' O ' HG13 ' A' ' 34' ' ' VAL . 22.8 t60 -72.33 -37.17 68.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.691 ' O ' HG23 ' A' ' 36' ' ' THR . 77.6 mt-30 -58.7 -20.22 46.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -53.96 -16.26 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.601 HG13 ' O ' ' A' ' 31' ' ' HIS . 3.4 m -79.5 -27.66 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.413 ' CE1' HG23 ' A' ' 34' ' ' VAL . 30.5 m-70 -101.62 -24.02 14.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 32' ' ' GLN . 56.0 p -60.72 127.33 31.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.46 53.66 19.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -126.34 82.9 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -42.4 146.7 0.66 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 164.31 35.0 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 m -78.86 -50.36 11.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.45 -75.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 97.54 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.5 p -134.25 89.12 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.0 p -89.46 132.29 35.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.481 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -143.77 153.9 42.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.822 0.344 . . . . 0.0 110.881 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 m -91.21 132.47 36.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.67 116.81 9.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -158.09 132.43 8.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 110.924 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 t -158.04 129.7 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.62 103.44 0.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 p -52.11 154.91 2.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 111.12 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.92 -44.65 0.46 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 54.97 45.26 26.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.905 0.383 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 22' ' ' TYR . 21.2 mttp -37.14 153.37 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -12.81 33.62 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.323 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.554 ' HB3' HD22 ' A' ' 28' ' ' LEU . 18.0 m-85 -126.91 146.44 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.6 tttt -155.04 123.53 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -73.06 141.02 47.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.72 -24.95 10.25 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.557 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.6 mm-40 -52.88 -59.0 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.374 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -112.3 -43.68 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.13 45.18 0.34 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.533 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 26.7 mttt -111.24 125.59 53.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.4 p -103.72 153.61 20.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.427 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 34.0 m-85 -139.92 128.13 22.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -55.25 -21.34 13.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -114.76 157.28 23.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 4.7 tmm_? -81.77 -49.36 10.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.84 -17.16 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -84.71 -28.36 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 13' ' ' PHE . 7.9 tp -74.73 -59.37 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -47.37 -34.33 6.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -71.07 -32.96 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.906 ' O ' HG22 ' A' ' 34' ' ' VAL . 22.4 t60 -75.68 -37.67 59.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -55.99 -18.09 8.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -63.13 -15.78 57.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.9 m -80.04 -13.89 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 29.1 m-70 -110.3 24.8 12.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.3 t -173.22 118.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.407 ' O ' ' CG ' ' A' ' 38' ' ' GLU . . . -148.77 49.36 0.59 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 37' ' ' GLY . 10.6 pt-20 43.47 44.06 4.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.404 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -114.37 139.35 23.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.582 0.705 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 117.88 5.35 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 m -44.04 -63.99 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.19 174.63 20.81 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -0.06 6.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.24 . . . . 0.0 112.356 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.0 t -85.69 -53.42 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 46' ' ' GLY . 47.9 t -42.65 108.84 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -138.64 157.92 45.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.866 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 m -131.67 172.78 11.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.88 101.48 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -69.86 115.94 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -163.22 137.98 6.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.37 124.72 5.26 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 9' ' ' GLY . 8.9 t -80.94 -43.46 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.454 ' N ' HG23 ' A' ' 8' ' ' THR . . . 177.53 -164.07 32.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.535 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -116.87 154.71 30.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -59.12 144.08 83.43 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.526 0.679 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -12.6 33.21 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.663 ' CZ ' ' CG ' ' A' ' 25' ' ' ARG . 11.7 m-85 -126.8 139.57 53.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -150.84 147.65 27.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -95.92 139.51 32.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.47 -21.66 23.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 14.4 mm-40 -57.68 -63.93 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.879 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -105.56 -44.61 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.9 31.46 1.02 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 49.4 mttm -97.32 127.89 43.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.7 p -105.72 156.47 18.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.511 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 78.1 m-85 -146.91 128.93 15.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -55.99 -33.52 64.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -100.65 165.76 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.663 ' CG ' ' CZ ' ' A' ' 13' ' ' PHE . 55.0 mtp180 -85.6 -53.52 5.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 p -49.62 -19.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.511 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 4.5 m170 -81.89 -35.91 28.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.653 HD22 ' HB3' ' A' ' 13' ' ' PHE . 65.4 tp -71.77 -57.72 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 30' ' ' GLN . 6.9 t -54.1 -42.14 69.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.455 ' N ' HG23 ' A' ' 29' ' ' THR . 32.8 mt-30 -66.75 -33.91 76.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.521 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.9 t60 -68.8 -33.49 73.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.93 -12.96 20.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 13.1 mtp-105 -58.51 -13.26 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.6 m -92.81 -28.14 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 47.6 m-70 -94.88 20.64 8.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.5 t -149.21 144.13 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.91 -75.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -108.98 64.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.906 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -59.16 143.84 83.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.539 0.685 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 94.25 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.1 m -67.47 -53.74 26.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.63 136.17 50.59 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 144.83 55.11 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.676 2.251 . . . . 0.0 112.282 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.2 m -140.46 117.59 11.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -110.05 130.44 55.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.488 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -162.2 148.04 13.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.844 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -164.8 142.59 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.41 86.85 0.27 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -78.38 -52.76 8.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.377 . . . . 0.0 110.849 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 t -79.66 104.11 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.07 -46.95 5.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.2 p -123.07 -49.23 1.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 111.098 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.77 149.74 19.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.451 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -88.48 167.59 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.903 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 22' ' ' TYR . 23.5 mmtp -74.38 133.82 77.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -22.05 32.6 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 49.4 m-85 -120.34 160.88 22.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -157.67 146.34 19.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 1.4 t -90.54 122.49 33.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.57 46.15 1.98 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.534 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.8 mm-40 -134.57 -45.43 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.933 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -123.73 -42.64 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.37 34.43 0.66 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 22.1 mttp -104.12 111.65 24.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.344 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.41 145.06 25.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.41 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 82.2 m-85 -133.01 150.19 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -70.94 -33.66 70.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.732 ' HB3' HG12 ' A' ' 26' ' ' VAL . 47.1 mm-40 -116.25 134.04 55.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -62.29 -14.18 36.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.732 HG12 ' HB3' ' A' ' 24' ' ' GLN . 10.8 p -75.67 -31.34 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -85.14 -24.93 27.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 15.4 tp -76.39 -51.48 11.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.421 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 5.3 t -54.97 -41.6 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.421 ' N ' ' CG2' ' A' ' 29' ' ' THR . 8.5 mm100 -65.55 -26.94 68.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.512 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.0 t60 -78.86 -39.3 35.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -55.26 -14.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.572 ' HA ' HG22 ' A' ' 36' ' ' THR . 67.6 mtt-85 -60.4 -28.91 68.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 m -66.84 -32.91 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.534 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 30.1 m-70 -81.26 -16.96 51.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.572 HG22 ' HA ' ' A' ' 33' ' ' ARG . 1.4 t -111.7 171.28 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.19 34.1 0.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.428 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -52.4 113.57 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 28.1 ttmt -141.95 141.73 22.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.535 0.683 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.2 Cg_endo -69.71 141.09 44.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 t -82.39 125.96 31.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -157.95 -167.7 19.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -46.93 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.6 m -58.48 95.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -127.85 -49.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.468 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.554 0.693 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.3 37.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.667 2.244 . . . . 0.0 112.338 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 14.3 m-85 -118.27 143.56 46.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -152.68 149.0 27.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.4 t -93.84 113.59 25.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.43 36.38 3.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 5.7 mp0 -124.94 -33.46 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.358 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 p -132.85 -41.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.58 46.31 0.45 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -120.84 115.1 22.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.1 p -98.17 157.8 15.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -146.81 129.46 16.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -46.36 -44.02 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -102.06 165.58 11.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 17.2 ptt-85 -86.62 -22.14 26.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 p -74.56 -19.27 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -90.96 -11.19 39.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 tp -94.63 -51.58 4.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -56.98 -39.8 75.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -69.89 -17.61 63.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -89.77 -40.3 12.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.81 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -56.66 -13.32 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 -55.52 -35.31 65.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.405 HG23 ' CE1' ' A' ' 35' ' ' HIS . 10.3 m -65.89 -15.66 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' CE1' HG23 ' A' ' 34' ' ' VAL . 33.3 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.564 0.697 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -20.4 34.56 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.541 ' HB3' HD22 ' A' ' 28' ' ' LEU . 25.6 m-85 -120.94 163.34 18.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -161.0 147.79 15.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 t -91.99 107.69 19.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.431 ' C ' ' OE2' ' A' ' 17' ' ' GLU . . . -83.91 37.73 2.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.462 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.8 mp0 -124.92 -45.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 p -123.04 -42.82 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.64 33.87 0.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 47.3 mttt -106.79 108.4 19.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.1 152.07 20.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -139.76 157.38 45.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -76.47 -39.63 52.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -108.53 154.85 21.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -77.77 -38.55 46.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.9 p -59.34 -17.92 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -95.16 -27.04 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.541 HD22 ' HB3' ' A' ' 13' ' ' PHE . 24.8 tp -77.06 -48.96 16.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.472 HG23 ' N ' ' A' ' 30' ' ' GLN . 9.6 t -54.92 -42.77 72.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.472 ' N ' HG23 ' A' ' 29' ' ' THR . 12.9 mm100 -61.74 -35.8 79.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.54 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 20.7 t60 -71.23 -52.82 16.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -46.06 -21.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -48.26 -48.15 35.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.8 m -55.71 -24.99 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.462 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 30.4 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.581 0.705 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.73 37.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.499 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 25.5 m-85 -131.21 154.0 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -155.15 149.95 26.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.6 t -93.46 112.01 23.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.98 42.62 3.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -132.33 -56.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.935 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 17.4 p -106.5 -46.18 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 123.64 46.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 36.1 mttp -120.63 121.83 39.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.8 p -105.53 149.45 26.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -133.43 167.29 20.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -80.59 -42.56 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.968 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -107.6 157.17 18.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 22.6 ptt85 -74.71 -29.37 61.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.24 -26.59 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -82.42 -26.7 32.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 13' ' ' PHE . 24.2 tp -77.92 -55.35 5.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -54.89 -34.75 63.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -72.46 -22.47 61.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.506 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 14.0 t60 -87.42 -39.29 15.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.66 -17.29 32.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -57.34 -24.35 54.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.8 m -71.34 -32.72 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 23' ' ' ASN . 1.4 mptp? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.638 0.732 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -5.59 16.55 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.35 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.719 ' HB3' HD22 ' A' ' 28' ' ' LEU . 32.7 m-85 -130.46 143.22 50.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 26.7 ttpt -152.0 158.08 42.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.1 t -107.38 117.35 33.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.88 -21.49 79.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.4 mm-40 -59.46 -61.34 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -103.49 -46.23 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.24 31.28 1.09 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 49.5 mttt -91.36 177.87 6.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 p -153.84 146.45 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.502 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 93.6 m-85 -138.67 129.17 26.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.475 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 52.7 m-80 -43.82 -41.44 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -107.06 158.8 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 6.5 ptt-85 -74.84 -42.41 58.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.425 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 7.5 p -52.15 -33.95 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.502 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 27.9 m170 -72.99 -34.28 66.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.719 HD22 ' HB3' ' A' ' 13' ' ' PHE . 19.8 tp -73.01 -59.25 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -49.16 -39.66 29.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -70.97 -25.81 62.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.66 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.8 t60 -81.01 -34.17 33.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -55.53 -21.18 15.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -58.59 -32.45 68.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.5 m -59.12 -15.9 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 49.1 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.43 ' HD3' ' CA ' ' A' ' 22' ' ' TYR . 23.3 mttm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -16.45 37.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CE2' ' N ' ' A' ' 25' ' ' ARG . 4.2 m-85 -123.53 148.31 46.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -153.8 140.93 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 t -80.95 109.88 15.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.71 42.58 2.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -133.17 -52.23 0.89 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.899 0.381 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -111.39 -42.04 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.19 24.28 2.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 19.3 mttm -96.89 123.8 40.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 p -105.99 157.69 17.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.43 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 52.5 m-85 -143.2 153.26 42.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.34 -29.17 53.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -112.49 140.13 47.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.516 ' N ' ' CE2' ' A' ' 13' ' ' PHE . 47.9 ptt85 -63.68 -39.59 94.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.84 -30.21 49.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -73.39 -19.56 60.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 tp -86.63 -55.57 3.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -47.93 -31.96 5.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -74.86 -36.7 62.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.614 ' O ' HG22 ' A' ' 34' ' ' VAL . 7.2 t60 -68.16 -46.12 71.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -45.98 -23.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.2 mtp85 -57.65 -43.37 84.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 31' ' ' HIS . 14.9 m -49.04 -26.31 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -11.5 30.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.715 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.2 m-85 -126.66 143.77 51.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -152.03 136.27 16.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.35 114.52 19.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.28 46.03 3.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -133.61 -42.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.951 0.405 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.9 p -123.12 -42.85 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.19 43.07 0.37 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.508 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 24.4 mttt -119.09 123.17 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.8 p -106.77 158.25 17.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.403 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 90.3 m-85 -145.98 151.0 37.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -79.96 -30.57 39.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -104.42 153.3 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 78.8 mtt-85 -75.18 -45.18 42.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.464 ' O ' HG22 ' A' ' 26' ' ' VAL . 9.9 p -60.63 -9.96 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.403 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 5.7 m-70 -94.07 -26.83 16.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 13' ' ' PHE . 66.7 tp -81.93 -50.91 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -57.39 -37.59 72.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -73.19 -16.71 61.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.714 ' O ' HG22 ' A' ' 34' ' ' VAL . 36.8 t60 -92.65 -40.5 10.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -60.74 -24.21 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -63.43 -29.54 70.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.6 m -61.67 -16.44 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.895 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.615 0.722 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.326 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.613 ' HB3' HD22 ' A' ' 28' ' ' LEU . 8.9 m-85 -137.64 150.62 47.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 17.5 tttp -154.08 148.57 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.419 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 13.2 t -91.78 121.24 33.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.56 36.98 3.54 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.493 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.2 mm-40 -126.42 -44.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -120.53 -39.48 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.79 31.46 1.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 28.8 mttm -104.05 123.77 47.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.747 0.308 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 84.6 p -105.62 154.24 20.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -140.23 151.47 45.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -82.07 -6.76 59.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -131.58 130.33 42.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.582 ' N ' ' CE2' ' A' ' 13' ' ' PHE . 16.2 ptp180 -55.73 -41.84 74.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 p -55.96 -34.29 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -71.32 -32.52 68.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.613 HD22 ' HB3' ' A' ' 13' ' ' PHE . 35.2 tp -72.2 -58.84 3.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 4.5 t -52.78 -42.74 65.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.178 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.445 ' N ' ' CG2' ' A' ' 29' ' ' THR . 22.5 mm-40 -68.12 -36.2 79.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.814 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.1 t60 -70.51 -33.73 71.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -57.34 -14.82 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -58.3 -24.86 60.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.814 HG22 ' O ' ' A' ' 31' ' ' HIS . 29.3 m -75.72 -13.31 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 28.1 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.577 0.703 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -6.28 18.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 12.1 m-85 -143.04 146.22 33.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -151.12 144.71 24.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.5 t -87.42 125.27 34.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.41 44.08 1.91 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -130.79 -48.08 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.4 p -117.73 -43.3 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.97 48.86 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -119.62 129.58 54.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.7 p -107.37 146.69 31.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -136.24 133.37 36.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -60.73 -34.61 74.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -107.75 135.23 49.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 3.9 ptm85 -57.18 -43.88 83.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.8 p -60.46 -22.0 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -83.14 -15.04 52.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -93.11 -50.0 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 t -57.15 -35.05 69.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.21 -28.97 64.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -76.48 -40.36 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -53.86 -19.38 4.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -45.06 -47.07 11.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 m -57.7 -38.19 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HG2' ' C ' ' A' ' 22' ' ' TYR . 2.5 mptt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.557 0.694 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.52 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.79 -15.55 37.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.52 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 11.1 m-85 -119.64 151.35 38.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.3 tttt -154.37 146.79 23.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.667 ' HB2' HD11 ' A' ' 28' ' ' LEU . 24.4 t -97.92 117.55 32.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.97 -22.48 68.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.1 mm-40 -57.13 -56.81 16.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -111.47 -44.58 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.84 31.86 0.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -100.28 134.16 43.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.337 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 81.8 p -111.06 143.16 42.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.408 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 41.9 m-85 -128.99 144.01 51.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.97 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -58.85 -39.96 82.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -108.89 162.85 13.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.481 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 6.1 tpt180 -80.24 -45.13 18.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -54.39 -20.51 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -86.18 -23.02 26.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' A' ' 15' ' ' CYS . 37.3 tp -83.34 -55.03 4.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 t -51.14 -39.48 56.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -68.19 -38.81 82.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.484 ' O ' HG13 ' A' ' 34' ' ' VAL . 10.8 t60 -65.16 -46.78 79.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -45.69 -26.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -45.08 -37.93 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 31' ' ' HIS . 4.4 m -56.97 -37.07 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 19.3 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HG2' ' C ' ' A' ' 22' ' ' TYR . 7.6 mptt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.558 0.694 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -17.28 37.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.321 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 12.6 m-85 -123.36 163.61 20.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -159.22 124.38 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.1 t -68.32 115.21 7.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.446 ' C ' ' OE2' ' A' ' 17' ' ' GLU . . . -89.66 36.76 3.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.518 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 4.2 mp0 -123.93 -40.92 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.371 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.3 p -127.92 -41.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.71 30.51 0.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -106.69 108.92 20.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.4 p -90.47 156.12 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.411 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 35.9 m-85 -136.17 157.47 46.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -77.64 -35.25 52.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.434 ' C ' ' CE2' ' A' ' 13' ' ' PHE . 14.7 mm100 -105.67 160.06 15.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 53.9 ttm-85 -80.31 -42.53 22.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.442 ' O ' HG22 ' A' ' 26' ' ' VAL . 3.5 p -68.92 -14.83 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.432 ' HD2' HG13 ' A' ' 26' ' ' VAL . 16.9 m170 -86.8 -18.76 30.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -85.98 -63.62 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.485 HG23 ' N ' ' A' ' 30' ' ' GLN . 6.9 t -39.77 -43.58 1.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.485 ' N ' HG23 ' A' ' 29' ' ' THR . 13.0 mt-30 -60.98 -43.0 99.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -62.22 -49.17 76.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -50.62 -17.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 2.9 mmp_? -57.83 -44.22 86.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.0 m -48.88 -37.2 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 mptt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.579 0.704 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -20.26 35.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.339 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.486 ' CZ ' ' HG2' ' A' ' 25' ' ' ARG . 2.8 m-85 -122.38 152.43 40.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -155.57 142.18 18.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -82.89 123.22 29.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.53 32.44 5.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -125.82 -44.37 1.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.941 0.4 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -115.95 -44.93 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.33 30.8 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -100.52 127.64 46.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.5 p -108.82 137.81 46.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -123.39 165.9 16.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -90.26 -32.29 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -110.66 159.24 17.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.486 ' HG2' ' CZ ' ' A' ' 13' ' ' PHE . 52.6 mtt85 -73.57 -49.45 26.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.3 p -55.38 -25.78 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -75.25 -32.63 61.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.8 tp -76.94 -55.8 5.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 1.4 t -53.59 -40.41 65.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' N ' ' CG2' ' A' ' 29' ' ' THR . 55.5 mm-40 -70.29 -18.92 63.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.577 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.2 t60 -87.07 -33.78 19.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -58.67 -21.03 53.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 33' ' ' ARG . 29.5 mtm105 -61.74 -18.7 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.9 m -75.41 -14.98 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -21.28 33.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.536 ' HB3' HD22 ' A' ' 28' ' ' LEU . 7.8 m-85 -110.22 139.33 45.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -151.94 141.71 21.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.4 t -96.43 113.44 25.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.77 -27.0 63.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 30.0 mm-40 -50.33 -49.78 52.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -120.49 -43.04 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.78 43.15 0.5 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -111.52 128.04 55.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.9 p -104.94 153.54 21.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -146.18 128.71 16.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -50.9 -40.11 55.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -96.48 154.49 17.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 35.7 ttt180 -76.71 -47.06 23.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.556 HG22 ' OE1' ' A' ' 30' ' ' GLN . 9.8 p -56.27 -17.79 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -83.04 -23.7 33.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 13' ' ' PHE . 22.2 tp -89.04 -58.34 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 t -50.68 -36.74 37.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.556 ' OE1' HG22 ' A' ' 26' ' ' VAL . 74.1 mt-30 -72.5 -41.27 66.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.566 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.1 t60 -63.9 -44.71 92.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -46.53 -29.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -46.44 -36.81 6.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 31' ' ' HIS . 32.2 m -52.53 -37.37 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.458 ' CG ' HG23 ' A' ' 34' ' ' VAL . 15.1 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.462 ' HD3' ' CA ' ' A' ' 22' ' ' TYR . 19.3 mttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.54 0.686 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.72 -19.37 36.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.717 2.278 . . . . 0.0 112.32 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 9.0 m-85 -118.7 158.4 25.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -156.83 141.13 16.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 t -78.24 113.6 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.8 38.61 3.11 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -131.35 -49.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -118.98 -41.59 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.37 15.59 2.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.526 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 35.9 mttt -84.72 106.88 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -91.28 156.63 17.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.462 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 81.8 m-85 -143.96 146.03 32.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.511 ' ND2' ' H ' ' A' ' 23' ' ' ASN . 0.6 OUTLIER -69.92 -32.05 70.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.423 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 22.3 mt-30 -108.03 156.29 19.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 4.2 ptp180 -83.87 -38.68 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' ' 26' ' ' VAL . 5.2 p -66.26 -12.41 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.423 ' ND1' ' HB2' ' A' ' 24' ' ' GLN . 65.4 m170 -94.05 -24.93 17.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -78.95 -54.09 6.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.4 t -49.36 -37.31 24.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -68.48 -32.42 72.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.595 ' O ' HG13 ' A' ' 34' ' ' VAL . 13.7 t60 -74.57 -45.63 44.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -49.42 -26.61 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -45.82 -24.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 31' ' ' HIS . 4.4 m -71.63 -40.44 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.423 ' N ' HG23 ' A' ' 34' ' ' VAL . 32.4 m-70 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.607 0.718 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -8.11 22.77 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.288 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.747 ' HB3' HD22 ' A' ' 28' ' ' LEU . 10.7 m-85 -136.26 140.17 43.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -151.13 128.77 11.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 t -71.17 104.98 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.25 42.89 2.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -130.67 -46.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.872 0.367 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -119.4 -41.02 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.85 36.33 0.78 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 17.9 mtpp -114.99 109.6 18.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.443 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 1.4 t -93.03 169.72 10.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 81.6 m-85 -153.62 124.25 7.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -44.09 -38.3 3.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -103.95 164.33 11.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 74.1 ttt180 -82.13 -45.65 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.6 p -51.86 -31.56 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 33.3 m170 -74.23 -24.79 59.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.747 HD22 ' HB3' ' A' ' 13' ' ' PHE . 61.1 tp -79.61 -57.71 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 30' ' ' GLN . 6.1 t -55.56 -41.11 72.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.433 ' N ' HG23 ' A' ' 29' ' ' THR . 26.8 mt-30 -67.78 -30.06 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.486 ' O ' HG22 ' A' ' 34' ' ' VAL . 13.5 t60 -73.75 -33.05 64.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -59.28 -15.34 15.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -58.25 -14.21 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 31' ' ' HIS . 21.0 m -83.39 -36.51 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.403 ' ND1' HG23 ' A' ' 34' ' ' VAL . 26.8 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.43 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.551 0.691 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -18.72 36.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 41.1 m-85 -125.04 158.25 34.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -155.89 139.52 16.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 2.1 t -83.84 108.23 16.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.8 45.25 3.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -133.13 -43.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.482 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 16.1 p -122.28 -42.91 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.59 49.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.536 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 29.1 mtpt -126.97 123.67 37.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.0 p -104.27 152.53 22.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 70.8 m-85 -135.31 147.06 49.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -57.26 -39.8 76.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -114.04 172.8 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 26.5 ptt180 -85.93 -42.16 14.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.401 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.4 p -56.05 -25.11 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 3.9 m-70 -82.34 -30.84 30.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 11.2 tp -75.29 -54.31 7.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 30' ' ' GLN . 7.0 t -50.58 -46.03 57.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.535 ' N ' HG23 ' A' ' 29' ' ' THR . 33.0 mt-30 -58.67 -40.75 84.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.583 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.8 t60 -66.2 -44.4 84.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -49.24 -30.75 7.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 -47.18 -37.39 10.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 31' ' ' HIS . 12.4 m -55.81 -41.03 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.482 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 37.6 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.4 mttp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.594 0.711 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -21.08 33.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.649 2.232 . . . . 0.0 112.313 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.49 ' HB3' HD22 ' A' ' 28' ' ' LEU . 12.8 m-85 -112.92 143.13 44.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -154.7 131.9 11.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.439 ' CA ' HD11 ' A' ' 28' ' ' LEU . 1.1 t -72.91 116.98 14.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.68 46.93 2.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.537 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.6 mm-40 -133.7 -39.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.907 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 p -130.91 -42.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.93 55.57 0.19 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.455 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 35.6 mttt -127.87 117.8 22.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.52 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 96.5 p -98.47 164.03 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 21' ' ' SER . 59.8 m-85 -156.35 120.6 4.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -42.94 -38.53 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -102.48 155.04 18.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.8 ptt85 -82.09 -39.66 23.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 26' ' ' VAL . 7.3 p -59.17 -14.2 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -93.9 -29.33 15.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 13' ' ' PHE . 33.1 tp -77.42 -51.12 11.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 30' ' ' GLN . 5.2 t -55.8 -42.29 75.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.438 ' N ' HG23 ' A' ' 29' ' ' THR . 25.7 mm-40 -65.47 -36.42 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.833 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.7 t60 -66.41 -37.34 85.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -52.5 -17.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -56.84 -30.08 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 31' ' ' HIS . 27.5 m -71.53 -17.47 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.537 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 19.7 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HD3' ' CA ' ' A' ' 22' ' ' TYR . 78.4 mttt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -27.76 26.0 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.915 ' HB3' HD22 ' A' ' 28' ' ' LEU . 8.4 m-85 -98.03 151.29 20.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -155.72 127.19 7.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.6 t -79.79 105.62 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.27 -21.1 77.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -62.12 -51.51 67.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -114.54 -43.89 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.1 16.59 3.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -94.77 124.48 38.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.3 p -99.74 169.07 9.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.464 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 59.3 m-85 -147.9 161.03 42.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -87.84 -17.39 31.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -123.99 152.87 42.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.576 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 9.0 mtp-105 -72.75 -52.08 16.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.73 -22.54 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -83.95 -27.54 28.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.915 HD22 ' HB3' ' A' ' 13' ' ' PHE . 65.4 tp -79.78 -56.98 3.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.556 HG23 ' N ' ' A' ' 30' ' ' GLN . 6.3 t -54.48 -47.32 73.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.556 ' N ' HG23 ' A' ' 29' ' ' THR . 14.5 mm100 -64.89 -31.55 72.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.601 ' O ' HG13 ' A' ' 34' ' ' VAL . 22.8 t60 -72.33 -37.17 68.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -58.7 -20.22 46.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -53.96 -16.26 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.601 HG13 ' O ' ' A' ' 31' ' ' HIS . 3.4 m -79.5 -27.66 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.413 ' CE1' HG23 ' A' ' 34' ' ' VAL . 30.5 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 22' ' ' TYR . 21.2 mttp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.598 0.713 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -12.81 33.62 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.323 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.554 ' HB3' HD22 ' A' ' 28' ' ' LEU . 18.0 m-85 -126.91 146.44 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.6 tttt -155.04 123.53 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -73.06 141.02 47.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.72 -24.95 10.25 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.557 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.6 mm-40 -52.88 -59.0 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.374 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -112.3 -43.68 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.13 45.18 0.34 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.533 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 26.7 mttt -111.24 125.59 53.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.4 p -103.72 153.61 20.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.427 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 34.0 m-85 -139.92 128.13 22.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -55.25 -21.34 13.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -114.76 157.28 23.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 4.7 tmm_? -81.77 -49.36 10.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.84 -17.16 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -84.71 -28.36 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 13' ' ' PHE . 7.9 tp -74.73 -59.37 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -47.37 -34.33 6.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -71.07 -32.96 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.906 ' O ' HG22 ' A' ' 34' ' ' VAL . 22.4 t60 -75.68 -37.67 59.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -55.99 -18.09 8.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -63.13 -15.78 57.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.9 m -80.04 -13.89 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 29.1 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.6 mptt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.526 0.679 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -12.6 33.21 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.663 ' CZ ' ' CG ' ' A' ' 25' ' ' ARG . 11.7 m-85 -126.8 139.57 53.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -150.84 147.65 27.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -95.92 139.51 32.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.47 -21.66 23.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 14.4 mm-40 -57.68 -63.93 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.879 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -105.56 -44.61 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.9 31.46 1.02 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 49.4 mttm -97.32 127.89 43.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.7 p -105.72 156.47 18.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.511 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 78.1 m-85 -146.91 128.93 15.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -55.99 -33.52 64.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -100.65 165.76 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.663 ' CG ' ' CZ ' ' A' ' 13' ' ' PHE . 55.0 mtp180 -85.6 -53.52 5.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 p -49.62 -19.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.511 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 4.5 m170 -81.89 -35.91 28.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.653 HD22 ' HB3' ' A' ' 13' ' ' PHE . 65.4 tp -71.77 -57.72 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 30' ' ' GLN . 6.9 t -54.1 -42.14 69.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.455 ' N ' HG23 ' A' ' 29' ' ' THR . 32.8 mt-30 -66.75 -33.91 76.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.521 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.9 t60 -68.8 -33.49 73.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.93 -12.96 20.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 13.1 mtp-105 -58.51 -13.26 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.6 m -92.81 -28.14 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 47.6 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 22' ' ' TYR . 23.5 mmtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.591 0.71 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -22.05 32.6 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 49.4 m-85 -120.34 160.88 22.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -157.67 146.34 19.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 1.4 t -90.54 122.49 33.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.57 46.15 1.98 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.534 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.8 mm-40 -134.57 -45.43 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.933 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -123.73 -42.64 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.37 34.43 0.66 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 22.1 mttp -104.12 111.65 24.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.344 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.41 145.06 25.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.41 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 82.2 m-85 -133.01 150.19 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.407 ' ND2' ' HG2' ' A' ' 24' ' ' GLN . 2.5 p-10 -70.94 -33.66 70.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.732 ' HB3' HG12 ' A' ' 26' ' ' VAL . 47.1 mm-40 -116.25 134.04 55.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -62.29 -14.18 36.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.732 HG12 ' HB3' ' A' ' 24' ' ' GLN . 10.8 p -75.67 -31.34 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -85.14 -24.93 27.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 15.4 tp -76.39 -51.48 11.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.421 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 5.3 t -54.97 -41.6 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.421 ' N ' ' CG2' ' A' ' 29' ' ' THR . 8.5 mm100 -65.55 -26.94 68.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.512 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.0 t60 -78.86 -39.3 35.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -55.26 -14.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 67.6 mtt-85 -60.4 -28.91 68.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 m -66.84 -32.91 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.534 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 30.1 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -148.71 120.88 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m -143.51 159.2 42.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.74 140.68 6.2 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -85.58 161.43 19.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 110.893 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 p -159.97 139.84 11.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.48 154.73 8.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.0 m -103.98 112.68 25.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 111.15 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.48 ' C ' ' CD ' ' A' ' 10' ' ' GLU . . . 118.33 -129.07 8.02 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.428 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.48 ' CD ' ' C ' ' A' ' 9' ' ' GLY . 1.7 pm0 -173.17 135.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.896 0.379 . . . . 0.0 110.897 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.2 143.97 49.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.693 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.3 37.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.667 2.244 . . . . 0.0 112.338 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 14.3 m-85 -118.27 143.56 46.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -152.68 149.0 27.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.4 t -93.84 113.59 25.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.43 36.38 3.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 5.7 mp0 -124.94 -33.46 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.851 0.358 . . . . 0.0 110.892 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 p -132.85 -41.21 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.58 46.31 0.45 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -120.84 115.1 22.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.1 p -98.17 157.8 15.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -146.81 129.46 16.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -46.36 -44.02 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -102.06 165.58 11.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 17.2 ptt-85 -86.62 -22.14 26.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 p -74.56 -19.27 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -90.96 -11.19 39.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.9 tp -94.63 -51.58 4.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -56.98 -39.8 75.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -69.89 -17.61 63.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -89.77 -40.3 12.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.81 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -56.66 -13.32 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 -55.52 -35.31 65.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.884 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.405 HG23 ' CE1' ' A' ' 35' ' ' HIS . 10.3 m -65.89 -15.66 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' CE1' HG23 ' A' ' 34' ' ' VAL . 33.3 m-70 -102.72 5.01 38.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 76.1 p -149.41 117.35 6.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 162.19 -42.4 0.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.495 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.64 176.92 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.931 0.396 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.37 143.98 49.18 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -16.45 37.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.377 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -98.22 -61.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 80.83 -162.23 44.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 83.4 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.245 . . . . 0.0 112.375 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.7 t -62.82 130.62 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 m -87.67 42.02 1.02 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.479 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -54.15 132.6 43.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.908 0.385 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 4' ' ' GLY . 3.6 m -128.43 68.05 1.37 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.832 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.59 -143.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 t -170.24 165.88 8.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.896 0.379 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 m -124.15 158.94 31.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.01 -69.42 0.4 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.2 m -83.63 102.02 11.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.817 0.341 . . . . 0.0 111.147 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.83 159.31 0.15 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.459 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.52 174.61 0.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.389 . . . . 0.0 110.835 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.16 145.06 33.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.564 0.697 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -20.4 34.56 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.541 ' HB3' HD22 ' A' ' 28' ' ' LEU . 25.6 m-85 -120.94 163.34 18.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -161.0 147.79 15.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 t -91.99 107.69 19.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.431 ' C ' ' OE2' ' A' ' 17' ' ' GLU . . . -83.91 37.73 2.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.462 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.8 mp0 -124.92 -45.7 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.915 0.388 . . . . 0.0 110.863 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 p -123.04 -42.82 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.64 33.87 0.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.54 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 47.3 mttt -106.79 108.4 19.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.933 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.1 152.07 20.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -139.76 157.38 45.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -76.47 -39.63 52.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -108.53 154.85 21.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -77.77 -38.55 46.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.9 p -59.34 -17.92 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -95.16 -27.04 15.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.541 HD22 ' HB3' ' A' ' 13' ' ' PHE . 24.8 tp -77.06 -48.96 16.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.472 HG23 ' N ' ' A' ' 30' ' ' GLN . 9.6 t -54.92 -42.77 72.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.472 ' N ' HG23 ' A' ' 29' ' ' THR . 12.9 mm100 -61.74 -35.8 79.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.54 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 20.7 t60 -71.23 -52.82 16.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -46.06 -21.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -48.26 -48.15 35.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.8 m -55.71 -24.99 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.462 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 30.4 m-70 -89.91 -34.62 15.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.1 p -75.36 120.62 21.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.05 -166.76 38.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -114.66 129.23 56.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.09 144.05 51.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.588 0.709 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -43.45 2.65 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.715 2.276 . . . . 0.0 112.364 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 m -165.37 177.53 7.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.0 -158.4 13.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 90.39 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.8 t -169.3 151.47 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.3 t -65.69 138.53 58.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.456 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.3 t -128.04 137.7 52.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.884 0.373 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 m -69.08 124.76 24.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.51 55.13 0.66 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 6' ' ' SER . 2.0 t -81.12 -52.4 7.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.837 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 5' ' ' SER . 7.8 t -36.47 104.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.61 77.37 0.5 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.9 p -73.39 -48.63 32.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 111.139 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.9 107.99 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -89.44 81.71 6.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -98.36 143.89 27.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.73 37.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.499 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 25.5 m-85 -131.21 154.0 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -155.15 149.95 26.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.6 t -93.46 112.01 23.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.98 42.62 3.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -132.33 -56.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.935 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 19' ' ' GLY . 17.4 p -106.5 -46.18 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' N ' ' SG ' ' A' ' 18' ' ' CYS . . . 123.64 46.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 36.1 mttp -120.63 121.83 39.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.8 p -105.53 149.45 26.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -133.43 167.29 20.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -80.59 -42.56 22.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.968 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -107.6 157.17 18.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.499 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 22.6 ptt85 -74.71 -29.37 61.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.24 -26.59 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -82.42 -26.7 32.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 13' ' ' PHE . 24.2 tp -77.92 -55.35 5.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -54.89 -34.75 63.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -72.46 -22.47 61.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.506 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 14.0 t60 -87.42 -39.29 15.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -59.66 -17.29 32.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -57.34 -24.35 54.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 31' ' ' HIS . 10.8 m -71.34 -32.72 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -88.59 0.43 56.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.24 112.4 16.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.148 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -70.44 -134.76 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -109.66 152.51 25.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.927 0.394 . . . . 0.0 110.861 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -40.59 151.45 0.25 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -30.95 21.56 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.667 2.244 . . . . 0.0 112.401 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 t -60.17 133.93 56.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.07 173.57 55.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.513 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.14 47.09 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 t -56.31 141.75 40.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.9 p -106.13 165.17 11.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.853 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.516 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.9 m -156.45 123.41 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.382 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -166.74 125.41 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.39 -83.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 m -115.53 103.92 11.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.811 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 p -123.48 -58.49 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.03 50.04 8.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 85.5 m -45.58 114.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 111.204 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.9 -30.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 59.83 42.53 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 23' ' ' ASN . 1.4 mptp? -62.83 157.2 61.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.833 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -5.59 16.55 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.251 . . . . 0.0 112.35 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.719 ' HB3' HD22 ' A' ' 28' ' ' LEU . 32.7 m-85 -130.46 143.22 50.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 20' ' ' LYS . 26.7 ttpt -152.0 158.08 42.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.1 t -107.38 117.35 33.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.88 -21.49 79.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 2.4 mm-40 -59.46 -61.34 2.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.93 0.395 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.6 p -103.49 -46.23 4.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.24 31.28 1.09 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.557 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 49.5 mttt -91.36 177.87 6.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 p -153.84 146.45 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.502 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 93.6 m-85 -138.67 129.17 26.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.475 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 52.7 m-80 -43.82 -41.44 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -107.06 158.8 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.555 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 6.5 ptt-85 -74.84 -42.41 58.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.425 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 7.5 p -52.15 -33.95 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.502 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 27.9 m170 -72.99 -34.28 66.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.719 HD22 ' HB3' ' A' ' 13' ' ' PHE . 19.8 tp -73.01 -59.25 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.8 t -49.16 -39.66 29.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -70.97 -25.81 62.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.66 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.8 t60 -81.01 -34.17 33.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -55.53 -21.18 15.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -58.59 -32.45 68.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 31' ' ' HIS . 15.5 m -59.12 -15.9 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 49.1 m-70 -108.99 -26.63 10.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' GLY . 16.9 p -107.71 42.97 1.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' THR . . . -35.77 108.97 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -89.11 161.93 16.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.889 0.376 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -154.54 143.8 15.07 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.558 0.694 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -38.76 7.3 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.1 t -52.29 112.93 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 177.18 149.29 7.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.449 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -16.68 37.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.7 p -63.91 -52.41 59.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -99.68 27.62 5.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.494 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 m -99.86 175.45 5.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.848 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 p -137.52 152.74 49.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.58 39.69 0.4 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.9 p -91.0 100.66 13.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 110.814 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 7' ' ' GLY . 8.3 t -87.81 80.42 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.91 75.29 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.3 m -82.76 -62.46 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 111.147 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.28 90.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.29 125.79 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.892 0.377 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' HD3' ' CA ' ' A' ' 22' ' ' TYR . 23.3 mttm -102.17 145.56 30.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -16.45 37.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.516 ' CE2' ' N ' ' A' ' 25' ' ' ARG . 4.2 m-85 -123.53 148.31 46.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -153.8 140.93 19.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.6 t -80.95 109.88 15.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.71 42.58 2.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -133.17 -52.23 0.89 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.899 0.381 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -111.39 -42.04 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.19 24.28 2.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 19.3 mttm -96.89 123.8 40.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 p -105.99 157.69 17.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.43 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 52.5 m-85 -143.2 153.26 42.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.34 -29.17 53.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -112.49 140.13 47.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.516 ' N ' ' CE2' ' A' ' 13' ' ' PHE . 47.9 ptt85 -63.68 -39.59 94.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.84 -30.21 49.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -73.39 -19.56 60.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.2 tp -86.63 -55.57 3.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -47.93 -31.96 5.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -74.86 -36.7 62.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.614 ' O ' HG22 ' A' ' 34' ' ' VAL . 7.2 t60 -68.16 -46.12 71.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -45.98 -23.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.595 ' O ' HG23 ' A' ' 36' ' ' THR . 70.2 mtp85 -57.65 -43.37 84.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.841 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.614 HG22 ' O ' ' A' ' 31' ' ' HIS . 14.9 m -49.04 -26.31 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.8 m-70 -84.78 24.37 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 33' ' ' ARG . 7.9 p -85.45 113.97 22.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.75 117.99 5.16 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.446 ' O ' ' CD ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -93.07 39.15 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.908 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.78 149.85 60.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.619 0.723 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 132.54 23.6 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.0 t -78.73 99.75 6.78 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 131.59 166.27 11.61 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.6 Cg_endo -69.75 121.78 8.47 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' PRO . 11.9 t -36.42 140.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -52.93 141.74 21.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.491 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.9 p -115.7 161.21 19.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.367 . . . . 0.0 110.862 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -111.28 158.21 19.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.51 -122.69 0.84 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 p -127.7 125.08 39.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.849 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -83.7 -47.77 10.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.831 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.85 157.6 14.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.514 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.8 m -127.68 92.9 3.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.348 . . . . 0.0 111.154 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.83 167.85 20.3 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -132.85 85.04 2.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.967 0.413 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.83 143.97 27.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -11.5 30.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.359 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.715 ' HB3' HD22 ' A' ' 28' ' ' LEU . 3.2 m-85 -126.66 143.77 51.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -152.03 136.27 16.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -80.35 114.52 19.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.28 46.03 3.19 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -133.61 -42.31 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.951 0.405 . . . . 0.0 110.895 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.9 p -123.12 -42.85 2.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.841 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.19 43.07 0.37 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.508 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 24.4 mttt -119.09 123.17 43.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.795 0.331 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 85.8 p -106.77 158.25 17.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.403 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 90.3 m-85 -145.98 151.0 37.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -79.96 -30.57 39.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -104.42 153.3 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.582 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 78.8 mtt-85 -75.18 -45.18 42.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.464 ' O ' HG22 ' A' ' 26' ' ' VAL . 9.9 p -60.63 -9.96 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.403 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 5.7 m-70 -94.07 -26.83 16.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 13' ' ' PHE . 66.7 tp -81.93 -50.91 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -57.39 -37.59 72.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -73.19 -16.71 61.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.714 ' O ' HG22 ' A' ' 34' ' ' VAL . 36.8 t60 -92.65 -40.5 10.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -60.74 -24.21 65.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -63.43 -29.54 70.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.6 m -61.67 -16.44 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -98.64 -21.61 16.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 p -110.8 80.86 1.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 40.64 -156.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 39' ' ' LYS . 14.3 tt0 -127.98 128.37 44.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.918 0.389 . . . . 0.0 110.861 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 38' ' ' GLU . 49.6 pttt -37.72 143.95 0.36 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.577 0.703 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 126.16 12.99 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.25 . . . . 0.0 112.369 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -52.15 138.45 25.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -115.63 -158.62 11.74 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.517 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -10.74 29.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.641 2.227 . . . . 0.0 112.369 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.7 p -89.56 43.12 1.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.7 m -51.74 -51.46 55.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.491 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -82.24 138.19 34.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.865 0.364 . . . . 0.0 110.865 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 m -41.88 -55.48 3.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.45 -33.82 0.99 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.509 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m 43.14 50.03 5.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 110.834 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 t -114.06 94.92 5.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.26 77.39 0.26 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 36.3 p -105.7 -51.46 2.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 0.0 111.126 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 168.77 152.53 7.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -106.75 127.48 53.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.8 OUTLIER -79.69 143.87 59.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.615 0.722 . . . . 0.0 110.869 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -8.57 23.94 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.326 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.613 ' HB3' HD22 ' A' ' 28' ' ' LEU . 8.9 m-85 -137.64 150.62 47.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 17.5 tttp -154.08 148.57 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.419 ' N ' ' HG2' ' A' ' 14' ' ' LYS . 13.2 t -91.78 121.24 33.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.56 36.98 3.54 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.493 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.2 mm-40 -126.42 -44.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.0 p -120.53 -39.48 2.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.79 31.46 1.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.546 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 28.8 mttm -104.05 123.77 47.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.747 0.308 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 84.6 p -105.62 154.24 20.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.825 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -140.23 151.47 45.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -82.07 -6.76 59.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -131.58 130.33 42.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.582 ' N ' ' CE2' ' A' ' 13' ' ' PHE . 16.2 ptp180 -55.73 -41.84 74.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 p -55.96 -34.29 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -71.32 -32.52 68.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.613 HD22 ' HB3' ' A' ' 13' ' ' PHE . 35.2 tp -72.2 -58.84 3.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 4.5 t -52.78 -42.74 65.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.178 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' N ' ' CG2' ' A' ' 29' ' ' THR . 22.5 mm-40 -68.12 -36.2 79.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.814 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.1 t60 -70.51 -33.73 71.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.561 ' O ' HG22 ' A' ' 36' ' ' THR . 36.6 mt-30 -57.34 -14.82 5.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -58.3 -24.86 60.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.814 HG22 ' O ' ' A' ' 31' ' ' HIS . 29.3 m -75.72 -13.31 14.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.493 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 28.1 m-70 -110.05 -21.56 12.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.83 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.638 ' O ' HG23 ' A' ' 36' ' ' THR . 9.2 t -127.85 98.71 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 38' ' ' GLU . . . 179.55 -112.56 0.36 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.522 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 37' ' ' GLY . 20.4 tt0 38.12 46.19 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.936 0.398 . . . . 0.0 110.918 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.44 143.76 16.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.703 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 144.21 53.41 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 2.275 . . . . 0.0 112.368 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 t -113.12 -177.06 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -132.21 -95.03 0.61 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.539 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.19 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.736 2.291 . . . . 0.0 112.329 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 m -159.04 158.13 32.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 52.0 p -106.17 170.13 8.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.517 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 t -94.65 177.63 5.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 t -68.78 93.78 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.15 148.91 19.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.539 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -168.2 134.13 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 110.861 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -51.85 165.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.38 75.71 0.2 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 32.6 m -55.13 105.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -87.3 140.55 16.88 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -103.77 18.83 21.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.889 0.376 . . . . 0.0 110.833 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -81.83 146.6 56.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.577 0.703 . . . . 0.0 110.889 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -6.28 18.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 12.1 m-85 -143.04 146.22 33.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.1 tttp -151.12 144.71 24.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.5 t -87.42 125.27 34.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -97.41 44.08 1.91 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.432 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -130.79 -48.08 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.879 0.371 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.4 p -117.73 -43.3 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.97 48.86 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -119.62 129.58 54.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 52.7 p -107.37 146.69 31.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -136.24 133.37 36.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.1 p-10 -60.73 -34.61 74.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -107.75 135.23 49.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 3.9 ptm85 -57.18 -43.88 83.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.8 p -60.46 -22.0 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.086 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -83.14 -15.04 52.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.2 tp -93.11 -50.0 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.4 t -57.15 -35.05 69.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -71.21 -28.97 64.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -76.48 -40.36 50.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -53.86 -19.38 4.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -45.06 -47.07 11.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.7 m -57.7 -38.19 63.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -76.92 -10.24 59.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 p -124.8 47.76 2.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.74 172.91 40.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 73.78 37.43 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.952 0.406 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.7 pttm -141.3 143.98 32.5 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.544 0.688 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -37.2 9.33 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t 54.85 35.35 24.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.74 -160.53 30.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -4.74 14.6 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.754 2.303 . . . . 0.0 112.328 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 m -48.19 -37.83 16.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.5 m -98.05 112.65 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.485 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -73.98 169.57 17.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -155.18 129.54 9.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.75 -124.04 1.52 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.519 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.0 p 39.51 51.59 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.817 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -85.5 50.12 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.9 51.28 50.6 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.2 m -82.41 -58.0 3.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.818 0.342 . . . . 0.0 111.135 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.44 -165.14 51.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -143.62 154.0 43.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' HG2' ' C ' ' A' ' 22' ' ' TYR . 2.5 mptt -129.99 143.82 50.64 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.557 0.694 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.52 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.79 -15.55 37.02 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.52 ' CE2' ' HG2' ' A' ' 12' ' ' PRO . 11.1 m-85 -119.64 151.35 38.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.3 tttt -154.37 146.79 23.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.667 ' HB2' HD11 ' A' ' 28' ' ' LEU . 24.4 t -97.92 117.55 32.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.97 -22.48 68.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.1 mm-40 -57.13 -56.81 16.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.897 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -111.47 -44.58 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.84 31.86 0.99 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -100.28 134.16 43.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.809 0.337 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 81.8 p -111.06 143.16 42.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.408 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 41.9 m-85 -128.99 144.01 51.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.97 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -58.85 -39.96 82.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -108.89 162.85 13.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.481 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 6.1 tpt180 -80.24 -45.13 18.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -54.39 -20.51 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -86.18 -23.02 26.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.667 HD11 ' HB2' ' A' ' 15' ' ' CYS . 37.3 tp -83.34 -55.03 4.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.4 t -51.14 -39.48 56.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -68.19 -38.81 82.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.484 ' O ' HG13 ' A' ' 34' ' ' VAL . 10.8 t60 -65.16 -46.78 79.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -45.69 -26.3 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -45.08 -37.93 4.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 31' ' ' HIS . 4.4 m -56.97 -37.07 52.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 19.3 m-70 -91.97 -27.77 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.4 p -101.53 107.56 18.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 121.82 -64.82 0.49 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -87.75 92.84 9.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.93 0.395 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 pttm -147.94 146.92 25.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.621 0.724 . . . . 0.0 110.854 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -24.59 29.46 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 t -112.13 83.36 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.827 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.77 169.29 24.45 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.445 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 44' ' ' SER . 54.1 Cg_endo -69.76 -22.26 32.32 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.644 2.229 . . . . 0.0 112.356 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 43' ' ' PRO . 6.8 t -35.6 -54.87 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.0 p -56.01 109.01 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.514 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p 39.44 42.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.6 p -98.67 126.08 44.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.66 -147.41 6.52 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.522 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -83.19 131.31 35.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m -104.01 -60.55 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.79 132.54 2.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.9 m -100.79 86.0 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 111.186 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -159.12 55.78 0.35 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -49.83 176.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HG2' ' C ' ' A' ' 22' ' ' TYR . 7.6 mptt -123.58 145.67 47.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.558 0.694 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -17.28 37.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.321 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 25' ' ' ARG . 12.6 m-85 -123.36 163.61 20.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.0 tttp -159.22 124.38 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.1 t -68.32 115.21 7.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.446 ' C ' ' OE2' ' A' ' 17' ' ' GLU . . . -89.66 36.76 3.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.518 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 4.2 mp0 -123.93 -40.92 2.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.371 . . . . 0.0 110.925 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.3 p -127.92 -41.53 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.71 30.51 0.96 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mtpp -106.69 108.92 20.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.4 p -90.47 156.12 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.411 ' C ' ' HG2' ' A' ' 11' ' ' LYS . 35.9 m-85 -136.17 157.47 46.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -77.64 -35.25 52.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.434 ' C ' ' CE2' ' A' ' 13' ' ' PHE . 14.7 mm100 -105.67 160.06 15.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 53.9 ttm-85 -80.31 -42.53 22.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.442 ' O ' HG22 ' A' ' 26' ' ' VAL . 3.5 p -68.92 -14.83 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.432 ' HD2' HG13 ' A' ' 26' ' ' VAL . 16.9 m170 -86.8 -18.76 30.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.3 tp -85.98 -63.62 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.485 HG23 ' N ' ' A' ' 30' ' ' GLN . 6.9 t -39.77 -43.58 1.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.485 ' N ' HG23 ' A' ' 29' ' ' THR . 13.0 mt-30 -60.98 -43.0 99.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -62.22 -49.17 76.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -50.62 -17.76 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 2.9 mmp_? -57.83 -44.22 86.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.0 m -48.88 -37.2 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -70.54 -26.63 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 p -82.05 -50.71 8.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.145 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -37.64 -89.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 39' ' ' LYS . 6.1 tt0 -70.03 117.79 12.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 0.0 110.918 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 38' ' ' GLU . 7.5 ptpt -34.37 143.9 0.2 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.58 0.705 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -17.17 37.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.664 2.243 . . . . 0.0 112.353 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.0 p -126.97 149.05 50.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.95 83.37 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 158.63 56.34 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.319 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.2 t -77.42 -61.06 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 t -48.39 -62.37 1.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.495 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -109.05 117.71 34.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 m -122.52 153.44 39.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.4 171.14 25.88 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -151.98 136.29 16.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.912 0.387 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -97.62 167.91 10.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.52 94.39 0.3 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.5 m -85.85 97.08 9.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 0.0 111.116 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.38 102.59 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -109.82 125.68 53.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -103.13 144.01 27.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.579 0.704 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -20.26 35.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.339 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.486 ' CZ ' ' HG2' ' A' ' 25' ' ' ARG . 2.8 m-85 -122.38 152.43 40.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -155.57 142.18 18.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -82.89 123.22 29.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.53 32.44 5.52 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -125.82 -44.37 1.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.941 0.4 . . . . 0.0 110.919 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -115.95 -44.93 2.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.33 30.8 1.24 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.2 mttt -100.52 127.64 46.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.5 p -108.82 137.81 46.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -123.39 165.9 16.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -90.26 -32.29 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -110.66 159.24 17.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.486 ' HG2' ' CZ ' ' A' ' 13' ' ' PHE . 52.6 mtt85 -73.57 -49.45 26.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.3 p -55.38 -25.78 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -75.25 -32.63 61.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.8 tp -76.94 -55.8 5.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 1.4 t -53.59 -40.41 65.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' N ' ' CG2' ' A' ' 29' ' ' THR . 55.5 mm-40 -70.29 -18.92 63.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.577 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.2 t60 -87.07 -33.78 19.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.832 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -58.67 -21.03 53.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.43 ' NH1' ' HB2' ' A' ' 33' ' ' ARG . 29.5 mtm105 -61.74 -18.7 60.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 31' ' ' HIS . 4.9 m -75.41 -14.98 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -99.14 -29.31 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.0 p -96.62 142.15 29.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.115 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 179.35 -73.24 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -58.15 164.76 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.923 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -51.0 154.67 2.42 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.552 0.692 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 149.64 67.22 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.682 2.255 . . . . 0.0 112.389 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.5 t -172.28 149.03 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.68 -85.79 0.1 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -19.48 36.0 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.696 2.264 . . . . 0.0 112.306 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.7 m -94.35 172.7 8.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 t -67.08 -53.23 32.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.47 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -120.96 91.15 3.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 110.829 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.4 m -132.96 120.69 21.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.15 64.97 0.59 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.531 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t -153.28 116.89 4.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.3 p -155.23 158.01 38.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.92 61.8 1.81 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.53 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.9 t -171.15 138.73 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 111.136 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 119.18 47.15 0.39 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -86.25 46.76 1.37 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.936 0.398 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.13 143.86 26.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -21.28 33.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.536 ' HB3' HD22 ' A' ' 28' ' ' LEU . 7.8 m-85 -110.22 139.33 45.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -151.94 141.71 21.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.4 t -96.43 113.44 25.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.77 -27.0 63.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 30.0 mm-40 -50.33 -49.78 52.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.929 0.395 . . . . 0.0 110.883 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.3 p -120.49 -43.04 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.78 43.15 0.5 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -111.52 128.04 55.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 82.9 p -104.94 153.54 21.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -146.18 128.71 16.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -50.9 -40.11 55.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -96.48 154.49 17.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 35.7 ttt180 -76.71 -47.06 23.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.556 HG22 ' OE1' ' A' ' 30' ' ' GLN . 9.8 p -56.27 -17.79 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -83.04 -23.7 33.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.536 HD22 ' HB3' ' A' ' 13' ' ' PHE . 22.2 tp -89.04 -58.34 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.0 t -50.68 -36.74 37.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.556 ' OE1' HG22 ' A' ' 26' ' ' VAL . 74.1 mt-30 -72.5 -41.27 66.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.566 ' O ' HG22 ' A' ' 34' ' ' VAL . 11.1 t60 -63.9 -44.71 92.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -46.53 -29.22 1.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -46.44 -36.81 6.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 31' ' ' HIS . 32.2 m -52.53 -37.37 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.458 ' CG ' HG23 ' A' ' 34' ' ' VAL . 15.1 m-70 -93.31 24.45 3.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 t -59.01 -30.55 68.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 45.82 52.11 9.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -45.08 167.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.924 0.392 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? -77.9 144.09 67.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.561 0.696 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 109.86 2.42 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.666 2.244 . . . . 0.0 112.297 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.3 p -40.98 -29.71 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.94 64.84 1.29 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 170.32 16.91 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.25 . . . . 0.0 112.328 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.4 m 44.05 44.25 6.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.3 m -135.08 171.15 14.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.484 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -140.34 170.28 16.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.892 0.377 . . . . 0.0 110.796 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -153.17 124.87 7.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.67 -86.2 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.547 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m 45.04 41.84 5.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 0.0 110.871 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.0 p -105.74 42.19 1.28 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.4 -171.49 40.2 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.2 p -155.25 110.11 2.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 111.133 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.16 159.53 27.83 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.462 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -149.82 142.89 24.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.914 0.388 . . . . 0.0 110.896 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.462 ' HD3' ' CA ' ' A' ' 22' ' ' TYR . 19.3 mttm -63.39 144.6 97.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.54 0.686 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HG2' ' CE2' ' A' ' 13' ' ' PHE . 53.6 Cg_endo -69.72 -19.37 36.4 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.717 2.278 . . . . 0.0 112.32 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 9.0 m-85 -118.7 158.4 25.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -156.83 141.13 16.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 t -78.24 113.6 16.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.8 38.61 3.11 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -131.35 -49.38 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -118.98 -41.59 2.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.37 15.59 2.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.526 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 35.9 mttt -84.72 106.88 16.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -91.28 156.63 17.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.462 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 81.8 m-85 -143.96 146.03 32.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.511 ' ND2' ' H ' ' A' ' 23' ' ' ASN . 0.6 OUTLIER -69.92 -32.05 70.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.423 ' HB2' ' ND1' ' A' ' 27' ' ' HIS . 22.3 mt-30 -108.03 156.29 19.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 4.2 ptp180 -83.87 -38.68 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.467 ' O ' HG22 ' A' ' 26' ' ' VAL . 5.2 p -66.26 -12.41 14.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.423 ' ND1' ' HB2' ' A' ' 24' ' ' GLN . 65.4 m170 -94.05 -24.93 17.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -78.95 -54.09 6.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.4 t -49.36 -37.31 24.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -68.48 -32.42 72.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.595 ' O ' HG13 ' A' ' 34' ' ' VAL . 13.7 t60 -74.57 -45.63 44.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.421 ' O ' HG23 ' A' ' 36' ' ' THR . 80.4 mt-30 -49.42 -26.61 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.7 mtt180 -45.82 -24.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 31' ' ' HIS . 4.4 m -71.63 -40.44 70.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.423 ' N ' HG23 ' A' ' 34' ' ' VAL . 32.4 m-70 -85.11 -33.41 22.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 32' ' ' GLN . 76.8 p -46.04 156.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.53 68.4 1.2 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -53.15 141.44 23.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.906 0.384 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -65.05 144.09 99.01 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.549 0.69 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -37.79 8.71 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.9 p -168.36 160.14 11.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.27 68.36 0.27 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.532 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -37.36 9.16 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.708 2.272 . . . . 0.0 112.306 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.2 t -126.22 84.2 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.822 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.1 t -68.25 107.07 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.481 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -94.34 42.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 m 52.88 42.08 31.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.31 118.84 0.81 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.46 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.1 p -97.26 116.55 29.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.7 m -138.3 123.87 19.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.16 76.7 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.8 m -44.02 -52.08 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 111.163 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.42 138.95 4.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -78.94 163.65 25.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.936 0.398 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -103.37 144.32 28.4 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.607 0.718 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -8.11 22.77 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.288 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.747 ' HB3' HD22 ' A' ' 28' ' ' LEU . 10.7 m-85 -136.26 140.17 43.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -151.13 128.77 11.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 t -71.17 104.98 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.25 42.89 2.61 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -130.67 -46.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.872 0.367 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -119.4 -41.02 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.85 36.33 0.78 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 17.9 mtpp -114.99 109.6 18.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.443 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 1.4 t -93.03 169.72 10.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.561 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 81.6 m-85 -153.62 124.25 7.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.953 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -44.09 -38.3 3.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -103.95 164.33 11.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 74.1 ttt180 -82.13 -45.65 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.6 p -51.86 -31.56 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.144 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.561 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 33.3 m170 -74.23 -24.79 59.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.747 HD22 ' HB3' ' A' ' 13' ' ' PHE . 61.1 tp -79.61 -57.71 3.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 30' ' ' GLN . 6.1 t -55.56 -41.11 72.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.433 ' N ' HG23 ' A' ' 29' ' ' THR . 26.8 mt-30 -67.78 -30.06 69.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.486 ' O ' HG22 ' A' ' 34' ' ' VAL . 13.5 t60 -73.75 -33.05 64.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -59.28 -15.34 15.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -58.25 -14.21 6.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 31' ' ' HIS . 21.0 m -83.39 -36.51 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' ND1' HG23 ' A' ' 34' ' ' VAL . 26.8 m-70 -88.83 -29.77 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 t -56.67 -38.27 71.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.74 -173.27 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.452 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -161.3 140.48 10.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 110.866 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 18.7 tttm -146.45 142.02 16.97 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.58 0.705 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.4 Cg_endo -69.68 159.43 53.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.732 2.288 . . . . 0.0 112.372 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.6 t -66.54 89.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 132.27 165.12 11.21 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 179.3 3.79 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 t -97.07 116.78 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 m -129.17 -51.06 1.2 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.538 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.4 p -129.81 129.11 43.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 t -136.64 167.47 21.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.55 -166.22 35.39 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 t -171.07 128.27 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -78.31 154.88 30.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.78 49.45 3.84 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.4 t -111.03 -17.74 13.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 111.118 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.85 66.47 0.24 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.511 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -125.15 150.68 46.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -61.08 153.05 68.74 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.551 0.691 . . . . 0.0 110.919 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -18.72 36.94 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.343 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.528 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 41.1 m-85 -125.04 158.25 34.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -155.89 139.52 16.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 2.1 t -83.84 108.23 16.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.8 45.25 3.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -133.13 -43.72 0.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.482 ' HB3' ' CE1' ' A' ' 35' ' ' HIS . 16.1 p -122.28 -42.91 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.59 49.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.536 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HD3' ' CE1' ' A' ' 31' ' ' HIS . 29.1 mtpt -126.97 123.67 37.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.0 p -104.27 152.53 22.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 70.8 m-85 -135.31 147.06 49.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.907 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -57.26 -39.8 76.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -114.04 172.8 6.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.528 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 26.5 ptt180 -85.93 -42.16 14.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.401 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 2.4 p -56.05 -25.11 18.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 3.9 m-70 -82.34 -30.84 30.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 11.2 tp -75.29 -54.31 7.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.535 HG23 ' N ' ' A' ' 30' ' ' GLN . 7.0 t -50.58 -46.03 57.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.535 ' N ' HG23 ' A' ' 29' ' ' THR . 33.0 mt-30 -58.67 -40.75 84.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.583 ' O ' HG22 ' A' ' 34' ' ' VAL . 10.8 t60 -66.2 -44.4 84.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -49.24 -30.75 7.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 mtt85 -47.18 -37.39 10.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 31' ' ' HIS . 12.4 m -55.81 -41.03 64.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.482 ' CE1' ' HB3' ' A' ' 18' ' ' CYS . 37.6 m-70 -74.47 -25.33 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.0 p -105.87 88.62 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 111.99 35.44 1.83 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 39' ' ' LYS . 7.6 tp10 -75.84 151.52 37.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.932 0.396 . . . . 0.0 110.86 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 11.6 ttpp -63.76 140.73 97.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.603 0.716 . . . . 0.0 110.84 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.85 118.3 5.6 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -119.25 79.99 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.38 159.48 10.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.467 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.56 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.698 2.266 . . . . 0.0 112.323 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.9 m -85.75 171.01 11.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.8 m -122.0 122.19 38.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.526 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -108.04 100.23 9.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.86 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -99.49 93.05 5.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 160.91 -47.49 0.38 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.463 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 4' ' ' GLY . 78.4 p 35.53 42.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 110.843 -179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 t -41.99 139.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.21 166.84 29.86 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 t -69.26 147.92 50.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.838 0.352 . . . . 0.0 111.106 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.84 76.63 0.45 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -101.22 109.35 21.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.959 0.409 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -86.85 150.2 49.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.594 0.711 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -21.08 33.76 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.649 2.232 . . . . 0.0 112.313 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.49 ' HB3' HD22 ' A' ' 28' ' ' LEU . 12.8 m-85 -112.92 143.13 44.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -154.7 131.9 11.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.439 ' CA ' HD11 ' A' ' 28' ' ' LEU . 1.1 t -72.91 116.98 14.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.68 46.93 2.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.537 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.6 mm-40 -133.7 -39.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 0.0 110.907 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 p -130.91 -42.07 1.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.93 55.57 0.19 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.455 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 35.6 mttt -127.87 117.8 22.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.801 0.334 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.52 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 96.5 p -98.47 164.03 12.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.52 ' CD1' ' C ' ' A' ' 21' ' ' SER . 59.8 m-85 -156.35 120.6 4.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -42.94 -38.53 2.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -102.48 155.04 18.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 13.8 ptt85 -82.09 -39.66 23.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 26' ' ' VAL . 7.3 p -59.17 -14.2 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -93.9 -29.33 15.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 13' ' ' PHE . 33.1 tp -77.42 -51.12 11.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 30' ' ' GLN . 5.2 t -55.8 -42.29 75.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.438 ' N ' HG23 ' A' ' 29' ' ' THR . 25.7 mm-40 -65.47 -36.42 83.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.833 ' O ' HG22 ' A' ' 34' ' ' VAL . 12.7 t60 -66.41 -37.34 85.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.516 ' O ' HG22 ' A' ' 36' ' ' THR . 79.6 mt-30 -52.5 -17.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -56.84 -30.08 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 31' ' ' HIS . 27.5 m -71.53 -17.47 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.537 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 19.7 m-70 -102.51 24.33 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.516 HG22 ' O ' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -161.44 148.65 14.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.66 30.4 26.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -163.59 179.09 7.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.481 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 8.2 ttpt -52.17 140.7 32.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.529 0.68 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.481 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.0 Cg_endo -69.73 80.2 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.713 2.275 . . . . 0.0 112.351 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 40' ' ' PRO . 95.3 p 35.05 40.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.897 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -38.99 146.46 0.17 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.447 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 152.46 69.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.73 2.287 . . . . 0.0 112.375 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.3 m -127.33 117.35 22.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 87.5 p -52.84 102.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.481 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -133.87 100.67 4.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.887 0.375 . . . . 0.0 110.905 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 m -99.71 174.32 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.59 71.0 1.17 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.503 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -62.85 152.49 36.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 110.869 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -95.66 -56.15 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.05 121.67 2.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.7 p -123.57 38.5 4.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.845 0.355 . . . . 0.0 111.15 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.73 135.87 24.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.87 111.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.39 . . . . 0.0 110.9 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HD3' ' CA ' ' A' ' 22' ' ' TYR . 78.4 mttt -96.2 141.58 23.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 0.0 110.856 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -27.76 26.0 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.32 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.915 ' HB3' HD22 ' A' ' 28' ' ' LEU . 8.4 m-85 -98.03 151.29 20.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 tttp -155.72 127.19 7.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.6 t -79.79 105.62 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.27 -21.1 77.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -62.12 -51.51 67.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -114.54 -43.89 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.1 16.59 3.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.52 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -94.77 124.48 38.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.762 0.315 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.3 p -99.74 169.07 9.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.464 ' CA ' ' HD3' ' A' ' 11' ' ' LYS . 59.3 m-85 -147.9 161.03 42.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -87.84 -17.39 31.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -123.99 152.87 42.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.576 ' HG2' ' CE1' ' A' ' 13' ' ' PHE . 9.0 mtp-105 -72.75 -52.08 16.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 p -51.73 -22.54 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -83.95 -27.54 28.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.915 HD22 ' HB3' ' A' ' 13' ' ' PHE . 65.4 tp -79.78 -56.98 3.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.556 HG23 ' N ' ' A' ' 30' ' ' GLN . 6.3 t -54.48 -47.32 73.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.166 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.556 ' N ' HG23 ' A' ' 29' ' ' THR . 14.5 mm100 -64.89 -31.55 72.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.601 ' O ' HG13 ' A' ' 34' ' ' VAL . 22.8 t60 -72.33 -37.17 68.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.691 ' O ' HG23 ' A' ' 36' ' ' THR . 77.6 mt-30 -58.7 -20.22 46.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -53.96 -16.26 1.8 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.601 HG13 ' O ' ' A' ' 31' ' ' HIS . 3.4 m -79.5 -27.66 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.413 ' CE1' HG23 ' A' ' 34' ' ' VAL . 30.5 m-70 -101.62 -24.02 14.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 32' ' ' GLN . 56.0 p -60.72 127.33 31.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 49.46 53.66 19.56 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -126.34 82.9 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -42.4 146.7 0.66 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 164.31 35.0 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.2 m -78.86 -50.36 11.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.838 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.45 -75.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 97.54 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.5 p -134.25 89.12 2.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.0 p -89.46 132.29 35.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.481 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.8 p -143.77 153.9 42.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.822 0.344 . . . . 0.0 110.881 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 m -91.21 132.47 36.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.67 116.81 9.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.2 p -158.09 132.43 8.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 110.924 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.3 t -158.04 129.7 6.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.62 103.44 0.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 p -52.11 154.91 2.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 111.12 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.92 -44.65 0.46 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 54.97 45.26 26.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.905 0.383 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 22' ' ' TYR . 21.2 mttp -37.14 153.37 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -12.81 33.62 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 0.0 112.323 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.554 ' HB3' HD22 ' A' ' 28' ' ' LEU . 18.0 m-85 -126.91 146.44 50.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 43.6 tttt -155.04 123.53 6.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 t -73.06 141.02 47.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.72 -24.95 10.25 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.557 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.6 mm-40 -52.88 -59.0 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.374 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -112.3 -43.68 3.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.13 45.18 0.34 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.533 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 26.7 mttt -111.24 125.59 53.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.4 p -103.72 153.61 20.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.427 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 34.0 m-85 -139.92 128.13 22.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.913 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.2 t30 -55.25 -21.34 13.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -114.76 157.28 23.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 13' ' ' PHE . 4.7 tmm_? -81.77 -49.36 10.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 p -58.84 -17.16 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -84.71 -28.36 26.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 13' ' ' PHE . 7.9 tp -74.73 -59.37 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.4 t -47.37 -34.33 6.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -71.07 -32.96 69.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.906 ' O ' HG22 ' A' ' 34' ' ' VAL . 22.4 t60 -75.68 -37.67 59.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -55.99 -18.09 8.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 68.9 mtp180 -63.13 -15.78 57.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 31' ' ' HIS . 35.9 m -80.04 -13.89 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 29.1 m-70 -110.3 24.8 12.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.3 t -173.22 118.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.407 ' O ' ' CG ' ' A' ' 38' ' ' GLU . . . -148.77 49.36 0.59 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 37' ' ' GLY . 10.6 pt-20 43.47 44.06 4.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.404 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -114.37 139.35 23.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.582 0.705 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 117.88 5.35 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.26 . . . . 0.0 112.346 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.3 m -44.04 -63.99 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.19 174.63 20.81 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -0.06 6.36 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 2.24 . . . . 0.0 112.356 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.0 t -85.69 -53.42 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 46' ' ' GLY . 47.9 t -42.65 108.84 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.478 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -138.64 157.92 45.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.866 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 m -131.67 172.78 11.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.88 101.48 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -69.86 115.94 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -163.22 137.98 6.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.37 124.72 5.26 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 9' ' ' GLY . 8.9 t -80.94 -43.46 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 111.137 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.454 ' N ' HG23 ' A' ' 8' ' ' THR . . . 177.53 -164.07 32.97 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.535 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -116.87 154.71 30.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.862 0.363 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -59.12 144.08 83.43 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.526 0.679 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -12.6 33.21 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 0.0 112.336 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.663 ' CZ ' ' CG ' ' A' ' 25' ' ' ARG . 11.7 m-85 -126.8 139.57 53.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.1 tttm -150.84 147.65 27.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 t -95.92 139.51 32.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.47 -21.66 23.83 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 14.4 mm-40 -57.68 -63.93 1.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.387 . . . . 0.0 110.879 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -105.56 -44.61 4.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 122.9 31.46 1.02 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 49.4 mttm -97.32 127.89 43.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.7 p -105.72 156.47 18.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.511 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 78.1 m-85 -146.91 128.93 15.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -55.99 -33.52 64.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -100.65 165.76 11.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.663 ' CG ' ' CZ ' ' A' ' 13' ' ' PHE . 55.0 mtp180 -85.6 -53.52 5.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 p -49.62 -19.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.511 ' HB3' ' CD2' ' A' ' 22' ' ' TYR . 4.5 m170 -81.89 -35.91 28.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.653 HD22 ' HB3' ' A' ' 13' ' ' PHE . 65.4 tp -71.77 -57.72 4.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 30' ' ' GLN . 6.9 t -54.1 -42.14 69.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.455 ' N ' HG23 ' A' ' 29' ' ' THR . 32.8 mt-30 -66.75 -33.91 76.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.521 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.9 t60 -68.8 -33.49 73.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.93 -12.96 20.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' CZ ' ' HB3' ' A' ' 33' ' ' ARG . 13.1 mtp-105 -58.51 -13.26 5.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.6 m -92.81 -28.14 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 47.6 m-70 -94.88 20.64 8.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.5 t -149.21 144.13 26.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.91 -75.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.466 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -108.98 64.74 0.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.906 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -59.16 143.84 83.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.539 0.685 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 94.25 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.332 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.1 m -67.47 -53.74 26.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -59.63 136.17 50.59 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.511 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 144.83 55.11 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.676 2.251 . . . . 0.0 112.282 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.2 m -140.46 117.59 11.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -110.05 130.44 55.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.488 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -162.2 148.04 13.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.844 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -164.8 142.59 6.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.41 86.85 0.27 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -78.38 -52.76 8.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.377 . . . . 0.0 110.849 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 t -79.66 104.11 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.07 -46.95 5.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.2 p -123.07 -49.23 1.96 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 111.098 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.77 149.74 19.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.451 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -88.48 167.59 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.903 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 22' ' ' TYR . 23.5 mmtp -74.38 133.82 77.24 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -22.05 32.6 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.693 2.262 . . . . 0.0 112.335 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 25' ' ' ARG . 49.4 m-85 -120.34 160.88 22.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -157.67 146.34 19.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 1.4 t -90.54 122.49 33.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.57 46.15 1.98 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.534 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 7.8 mm-40 -134.57 -45.43 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.925 0.393 . . . . 0.0 110.933 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.6 p -123.73 -42.64 2.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.37 34.43 0.66 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 22.1 mttp -104.12 111.65 24.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.344 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -96.41 145.06 25.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.41 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 82.2 m-85 -133.01 150.19 52.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.407 ' ND2' ' HG2' ' A' ' 24' ' ' GLN . 2.5 p-10 -70.94 -33.66 70.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.732 ' HB3' HG12 ' A' ' 26' ' ' VAL . 47.1 mm-40 -116.25 134.04 55.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -62.29 -14.18 36.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.732 HG12 ' HB3' ' A' ' 24' ' ' GLN . 10.8 p -75.67 -31.34 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -85.14 -24.93 27.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 15' ' ' CYS . 15.4 tp -76.39 -51.48 11.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.421 ' CG2' ' N ' ' A' ' 30' ' ' GLN . 5.3 t -54.97 -41.6 71.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.421 ' N ' ' CG2' ' A' ' 29' ' ' THR . 8.5 mm100 -65.55 -26.94 68.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.512 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 9.0 t60 -78.86 -39.3 35.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -55.26 -14.55 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.572 ' HA ' HG22 ' A' ' 36' ' ' THR . 67.6 mtt-85 -60.4 -28.91 68.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 m -66.84 -32.91 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.534 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 30.1 m-70 -81.26 -16.96 51.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.572 HG22 ' HA ' ' A' ' 33' ' ' ARG . 1.4 t -111.7 171.28 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 132.19 34.1 0.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.428 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -52.4 113.57 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 28.1 ttmt -141.95 141.73 22.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.535 0.683 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.437 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 54.2 Cg_endo -69.71 141.09 44.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.669 2.246 . . . . 0.0 112.331 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.0 t -82.39 125.96 31.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -157.95 -167.7 19.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -46.93 1.05 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.6 m -58.48 95.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t -127.85 -49.77 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.162 -0.799 . . . . 0.0 112.468 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_