data_2eos_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 2eos _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.416 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.794 0.247 . . . . 0.0 112.341 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.481 ' CD2' HD23 ' A' ' 24' ' ' LEU . 84.0 m-85 -117.68 86.55 24.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.688 0.756 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 140.64 42.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 32.7 t -64.27 161.42 16.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.428 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 10.9 tp10 -99.48 -37.98 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.528 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.3 mp -66.69 -72.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -91.89 -47.71 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.421 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.68 -26.86 3.59 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.539 HG23 ' CE1' ' A' ' 21' ' ' PHE . 5.6 m -41.27 118.53 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.164 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -79.29 170.18 17.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.564 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 39.1 m-85 -143.8 130.95 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' PHE . 40.5 mmm-85 -34.47 -47.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -118.97 162.44 18.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.481 HD23 ' CD2' ' A' ' 12' ' ' TYR . 3.4 tm? -76.95 -63.83 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.462 ' N ' HD11 ' A' ' 24' ' ' LEU . 11.5 pt20 -34.78 -36.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' LEU . 60.9 m -68.02 -51.39 47.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.443 HD11 ' CD1' ' A' ' 21' ' ' PHE . 22.6 tp -49.57 -49.64 45.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 29.9 mttm -46.73 -36.6 7.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.475 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 12.9 m -78.79 -23.56 45.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 13.3 t60 -72.47 -15.41 61.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.459 HD23 ' CD1' ' A' ' 16' ' ' ILE . 2.6 mt -78.58 -10.75 59.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -62.99 -41.97 99.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.6 pt -69.02 -26.35 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.528 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 47.8 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 120.805 0.252 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 85.6 m-85 -118.35 85.68 26.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.723 0.773 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.82 63.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.319 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 19' ' ' THR . 18.5 t -73.44 162.07 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.458 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 16.5 pt-20 -101.8 -38.21 7.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.547 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.4 mp -66.38 -71.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.1 p -90.51 -47.52 7.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.414 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.75 -20.57 4.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 14' ' ' CYS . 11.2 m -43.48 139.08 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.103 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -103.07 146.83 27.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.566 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 46.0 m-85 -123.16 139.84 53.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -40.16 -50.63 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -121.7 162.74 20.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 5.8 tp -74.45 -55.08 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -39.07 -32.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.1 m -80.11 -42.14 24.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 24' ' ' LEU . 10.9 tp -58.81 -49.28 78.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -51.18 -27.93 9.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 t -86.69 -20.2 28.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.566 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 7.7 t60 -73.7 -18.33 61.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -76.48 -2.62 33.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -31.21 69.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.8 pt -82.08 -16.52 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.547 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 51.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.833 0.264 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.516 ' CD2' ' HB2' ' A' ' 24' ' ' LEU . 78.4 m-85 -116.61 86.98 19.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.732 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 145.65 57.8 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.715 2.277 . . . . 0.0 112.325 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 20.4 t -69.5 161.92 28.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.452 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.4 tp10 -99.94 -38.73 8.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.567 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.3 mp -64.73 -71.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.5 p -94.03 -48.22 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.421 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.48 -25.13 3.47 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.5 m -40.77 121.89 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.323 . . . . 0.0 111.147 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -84.39 165.75 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.553 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 38.3 m-85 -140.71 134.17 29.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 17.6 ptt-85 -38.38 -44.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 7.9 m170 -120.48 162.93 18.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.516 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 3.0 tm? -78.91 -62.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.469 ' N ' HD11 ' A' ' 24' ' ' LEU . 1.6 pp0? -34.93 -45.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 m -60.39 -52.54 64.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.191 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 21' ' ' PHE . 23.0 tp -49.48 -50.58 40.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 45.9 mttt -44.56 -34.96 2.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.5 ' O ' ' CD ' ' A' ' 32' ' ' ARG . 3.5 m -80.42 -33.24 37.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.553 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 8.1 t60 -57.83 -21.9 44.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 16' ' ' ILE . 2.7 mt -71.31 -9.7 58.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -60.61 -47.29 86.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.0 pt -65.45 -19.82 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.567 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 32.1 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.813 0.255 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 87.4 m-85 -118.74 85.7 28.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.66 0.743 . . . . 0.0 110.911 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.26 66.63 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.65 2.233 . . . . 0.0 112.326 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 15.9 t -75.41 162.07 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.461 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.4 tp10 -100.41 -38.92 8.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.523 HG23 ' CG ' ' A' ' 34' ' ' HIS . 5.2 mp -66.48 -72.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.6 p -89.91 -48.4 7.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.436 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.75 -24.56 3.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.499 HG22 ' CE1' ' A' ' 21' ' ' PHE . 3.5 m -41.71 130.34 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 111.143 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -93.27 159.46 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.603 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 45.0 m-85 -133.34 144.13 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -46.5 -54.36 9.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -112.32 164.34 13.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 3.2 tm? -77.9 -62.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 24' ' ' LEU . 11.4 pt20 -34.24 -37.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' LEU . 85.0 m -71.73 -49.15 41.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' LEU . 15.8 tp -48.91 -46.07 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.47 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 35.3 mttm -55.84 -29.32 59.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 32' ' ' ARG . 50.1 m -84.63 -15.94 43.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.603 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 8.0 t60 -76.86 -23.91 52.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.442 ' N ' HD21 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -72.59 -1.91 17.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -72.47 -38.88 68.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.0 pt -73.19 -15.87 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.523 ' CG ' HG23 ' A' ' 16' ' ' ILE . 30.6 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.799 0.25 . . . . 0.0 112.328 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 86.1 m-85 -118.63 84.44 24.54 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.701 0.762 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 141.94 46.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 14.6 t -67.21 162.08 23.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.466 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 6.0 tt0 -101.47 -38.61 7.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.563 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.2 mp -66.22 -72.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.6 p -90.27 -48.77 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.426 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.6 -21.12 4.05 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.425 HG23 ' CE1' ' A' ' 21' ' ' PHE . 22.7 m -43.54 130.93 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.159 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -94.08 151.32 19.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.593 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 45.2 m-85 -127.65 137.72 52.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -40.0 -51.99 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -120.69 158.89 26.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 7.8 tp -71.99 -56.3 5.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -37.59 -29.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 24' ' ' LEU . 38.1 m -83.87 -44.39 14.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' LEU . 19.1 tp -54.6 -47.96 72.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -53.05 -29.46 30.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 m -84.97 -17.07 38.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.593 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.2 t60 -77.6 -23.97 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.463 HD23 ' CD1' ' A' ' 16' ' ' ILE . 1.6 mt -71.01 -3.52 20.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.21 -32.81 70.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.3 pt -80.07 -10.98 12.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.563 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 33.3 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.418 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 120.801 0.251 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.418 ' CD1' ' HG2' ' A' ' 11' ' ' PRO . 78.9 m-85 -117.0 86.75 20.43 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.69 0.757 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.77 67.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.386 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 34.7 t -73.94 161.37 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.42 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.0 tp10 -98.69 -38.12 9.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.567 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.2 mp -65.46 -72.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -93.97 -47.81 6.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.424 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.65 -27.38 3.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -37.6 121.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.141 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 -86.25 164.54 17.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.53 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 31.1 m-85 -139.66 136.83 34.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 22.7 ptt180 -40.77 -42.39 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.453 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 4.9 m170 -122.88 166.38 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 25' ' ' GLN . 3.0 tm? -82.23 -62.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' LEU . 26.4 pt20 -34.34 -42.21 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.427 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 62.6 m -65.81 -52.4 50.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 21' ' ' PHE . 24.3 tp -46.84 -46.74 21.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 30.3 mttm -50.58 -34.11 24.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -79.8 -21.86 43.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.53 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 7.7 t60 -73.07 -22.25 60.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 31' ' ' LEU . 2.4 mt -72.81 -10.14 59.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -60.55 -44.53 96.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.0 pt -66.59 -26.47 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.567 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 37.9 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.149 0 CA-C-O 120.826 0.261 . . . . 0.0 112.355 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.443 ' CD1' ' HG2' ' A' ' 11' ' ' PRO . 85.4 m-85 -119.54 86.59 34.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.673 0.749 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 142.18 47.23 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.385 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 19.9 t -64.75 161.95 16.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.452 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.2 tt0 -99.22 -39.0 8.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.517 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.1 mp -66.7 -73.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.8 p -89.67 -47.92 7.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.426 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.22 -26.52 3.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.505 HG22 ' CE1' ' A' ' 21' ' ' PHE . 23.1 m -41.0 124.12 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 111.142 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.419 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 5.0 mtm-85 -85.14 171.19 12.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.505 ' CE1' HG22 ' A' ' 19' ' ' THR . 32.8 m-85 -145.49 133.98 21.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 21' ' ' PHE . 11.6 ptm180 -34.82 -48.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -122.96 166.05 15.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.558 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 1.6 tm? -79.66 -62.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' LEU . 6.2 pt20 -33.51 -35.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 24' ' ' LEU . 60.2 m -73.87 -53.13 10.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.443 HD11 ' CD1' ' A' ' 21' ' ' PHE . 27.2 tp -46.3 -45.25 17.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 50.2 mttt -52.43 -36.41 54.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -75.71 -21.92 57.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.417 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.4 t60 -75.01 -30.33 61.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.464 ' N ' HD21 ' A' ' 31' ' ' LEU . 3.7 mt -65.62 -7.79 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -63.6 -43.61 96.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.0 pt -66.32 -30.52 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.517 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 45.8 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.435 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.794 0.247 . . . . 0.0 112.371 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 88.2 m-85 -119.1 86.41 31.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 151.59 69.14 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.639 2.226 . . . . 0.0 112.359 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 30.1 t -78.02 161.79 27.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.9 tp10 -99.69 -38.3 8.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.565 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.3 mp -66.75 -72.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.6 p -91.57 -48.7 6.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.425 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.42 -22.71 3.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.562 HG21 ' CE1' ' A' ' 21' ' ' PHE . 15.6 m -41.23 125.15 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.323 . . . . 0.0 111.126 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -90.75 152.31 20.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.562 ' CE1' HG21 ' A' ' 19' ' ' THR . 39.0 m-85 -127.74 146.31 50.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -44.2 -55.93 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -114.94 168.62 9.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 1.9 tm? -79.1 -61.08 2.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' LEU . 11.9 pt20 -34.2 -36.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' LEU . 76.0 m -73.65 -49.33 26.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' LEU . 21.1 tp -48.35 -45.11 35.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 25.6 mttm -55.09 -28.51 53.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 32' ' ' ARG . 27.1 m -82.94 -19.62 36.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 8.1 t60 -76.97 -21.91 54.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.8 mt -75.63 -2.35 28.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -71.94 -28.72 63.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.7 pt -84.36 -13.2 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.565 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 47.5 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.808 0.253 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 85.0 m-85 -118.08 85.89 24.96 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.671 0.748 . . . . 0.0 110.869 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 151.88 69.35 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.742 2.295 . . . . 0.0 112.36 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 16.5 t -78.58 161.99 26.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.461 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.5 tt0 -100.63 -38.71 8.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.566 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.4 mp -65.56 -72.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -91.68 -49.03 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.425 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.43 -21.09 3.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.44 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.569 HG22 ' CE1' ' A' ' 21' ' ' PHE . 14.0 m -42.55 131.97 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.0 mtt85 -96.28 146.13 24.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.569 ' CE1' HG22 ' A' ' 19' ' ' THR . 41.7 m-85 -122.57 134.58 54.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' PHE . 13.9 ttt180 -36.67 -57.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -108.66 171.77 7.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 1.9 tm? -86.34 -62.08 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 24' ' ' LEU . 6.2 pt20 -36.16 -30.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' LEU . 83.4 m -78.88 -46.78 17.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 24' ' ' LEU . 17.5 tp -50.86 -43.28 59.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -56.53 -33.15 65.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.6 t -78.9 -17.99 54.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.568 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.7 t60 -77.39 -25.21 50.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -73.63 -0.15 14.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -26.93 62.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.5 pt -86.58 -14.93 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.566 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 45.3 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.418 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.768 0.237 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 80.4 m-85 -117.3 85.21 19.11 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.724 0.773 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.16 69.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.431 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 41.1 t -80.82 162.11 24.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.415 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 11.2 pt-20 -102.01 -36.33 8.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.565 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.4 mp -68.62 -72.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -91.15 -48.38 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.431 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.97 -20.92 3.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.484 HG22 ' CE1' ' A' ' 21' ' ' PHE . 43.6 m -39.35 135.68 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.325 . . . . 0.0 111.147 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -101.37 142.63 32.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.515 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 43.7 m-85 -120.03 157.81 28.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 17.0 ptp180 -63.18 -47.31 83.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.402 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 4.6 m170 -122.35 156.09 34.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 4.4 tp -70.81 -52.92 17.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -41.88 -29.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 98.8 m -83.83 -44.77 13.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.424 HD11 ' CD1' ' A' ' 21' ' ' PHE . 17.7 tp -56.12 -41.88 75.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -56.75 -29.63 62.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 t -85.21 -14.68 46.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.515 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.1 t60 -78.58 -23.29 46.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 16' ' ' ILE . 1.3 mt -73.24 -3.13 24.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -72.28 -28.59 63.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 pt -84.03 -11.68 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.565 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 43.5 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.838 0.266 . . . . 0.0 112.382 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 84.6 m-85 -118.12 85.15 23.55 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.711 0.767 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 136.79 33.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.649 2.233 . . . . 0.0 112.4 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 18.7 t -61.76 161.97 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.456 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -100.79 -38.52 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.524 HG23 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -66.3 -72.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.7 p -91.38 -48.94 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.434 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.1 -21.12 4.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.525 HG23 ' CE1' ' A' ' 21' ' ' PHE . 3.2 m -44.1 116.17 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.139 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -79.02 150.23 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.652 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 45.6 m-85 -125.33 133.21 52.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' PHE . 35.8 mmm-85 -36.92 -56.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -113.59 159.42 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 1.8 tp -74.65 -58.33 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -38.12 -27.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 24' ' ' LEU . 85.8 m -83.08 -44.51 15.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' LEU . 20.5 tp -53.58 -49.08 68.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -51.78 -30.46 23.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.7 t -84.03 -18.64 36.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.652 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.2 t60 -75.87 -24.03 55.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.462 HD22 ' CD1' ' A' ' 16' ' ' ILE . 2.4 mt -71.93 -2.47 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -73.41 -32.01 64.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 pt -80.5 -11.71 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.524 ' CG ' HG23 ' A' ' 16' ' ' ILE . 35.9 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.408 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.804 0.252 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 87.7 m-85 -119.55 85.25 31.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.751 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 146.76 61.5 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' THR . 28.6 t -70.28 161.98 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.442 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.6 tp10 -100.48 -38.12 8.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.461 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.1 mp -67.85 -73.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.0 p -88.58 -48.92 7.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.425 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.72 -20.18 4.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.452 HG21 ' CE1' ' A' ' 21' ' ' PHE . 22.6 m -42.34 136.99 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 111.138 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -101.02 149.39 23.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.532 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 43.6 m-85 -126.06 143.46 51.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 13.8 ptp180 -47.13 -42.67 19.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.464 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 3.6 m-70 -122.91 165.01 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.552 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 1.6 tm? -79.15 -64.39 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' LEU . 18.0 pt20 -34.79 -41.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.1 m -67.2 -45.08 77.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' LEU . 16.3 tp -55.83 -48.3 75.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 58.5 mttt -51.23 -29.58 14.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 t -82.87 -21.51 34.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.532 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.2 t60 -73.89 -19.37 60.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.459 HD23 ' CD1' ' A' ' 16' ' ' ILE . 2.2 mt -72.79 -4.53 32.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -69.41 -41.36 76.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.2 pt -70.6 -11.21 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.461 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 28.1 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.787 0.245 . . . . 0.0 112.343 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 81.8 m-85 -117.6 85.69 21.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.652 0.739 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 137.09 34.64 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 12.3 t -64.93 162.15 17.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.475 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 6.4 pt-20 -102.98 -38.3 7.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.3 mp -64.22 -71.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -93.78 -47.74 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.431 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.44 -27.46 3.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.569 HG23 ' CE1' ' A' ' 21' ' ' PHE . 17.1 m -41.44 122.82 2.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 111.15 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.453 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 13.5 mtm180 -83.92 170.99 13.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.575 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 33.4 m-85 -146.21 135.9 23.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -39.59 -55.65 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -118.18 155.89 29.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 14.2 tp -69.34 -53.48 19.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -40.21 -26.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' LEU . 61.5 m -86.67 -41.96 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 21' ' ' PHE . 20.5 tp -58.46 -47.6 83.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -52.73 -33.34 47.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 t -80.67 -18.95 46.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.575 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 4.8 t60 -76.01 -33.71 59.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 16' ' ' ILE . 2.8 mt -63.0 -7.43 5.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -42.22 99.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.7 pt -71.05 -20.64 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.56 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 30.9 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.828 0.262 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 80.7 m-85 -118.33 85.6 25.7 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.741 0.781 . . . . 0.0 110.944 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.84 52.22 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 12.7 t -69.75 162.09 28.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.4 tt0 -102.55 -38.4 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.562 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.4 mp -66.03 -71.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.8 p -90.41 -48.18 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.419 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.01 -20.35 4.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.508 HG21 ' CE1' ' A' ' 21' ' ' PHE . 17.5 m -44.69 135.35 5.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.805 0.336 . . . . 0.0 111.134 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -98.35 146.12 26.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.611 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 32.2 m-85 -122.38 141.23 51.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.3 tpp85 -42.58 -53.72 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -118.88 161.42 20.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 5.4 tp -74.11 -56.66 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.414 ' HA ' ' NZ ' ' A' ' 28' ' ' LYS . 10.7 pt20 -37.34 -34.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.3 m -79.47 -42.49 25.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 24' ' ' LEU . 22.9 tp -56.48 -50.81 70.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 25' ' ' GLN . 8.4 mtmp? -48.44 -32.87 8.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.1 t -79.78 -24.45 41.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.611 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.6 t60 -70.54 -23.62 62.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.461 ' N ' HD21 ' A' ' 31' ' ' LEU . 2.0 mt -71.69 -3.24 20.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.407 ' NH1' ' O ' ' A' ' 28' ' ' LYS . 7.8 mpt_? -69.74 -37.73 76.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.7 pt -75.77 -12.88 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.562 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 40.2 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.77 0.237 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.557 ' CD2' ' HB2' ' A' ' 24' ' ' LEU . 83.2 m-85 -118.28 82.88 19.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.678 0.751 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.82 58.57 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 10.0 t -72.06 160.83 31.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 11.6 pt-20 -98.86 -39.65 8.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.4 mp -63.93 -73.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.0 p -91.66 -48.54 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.437 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 135.14 -17.98 4.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.412 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 96.3 m -44.01 131.0 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 111.124 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -96.79 155.48 16.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.562 ' CD1' HD11 ' A' ' 27' ' ' LEU . 20.8 m-85 -134.39 142.01 47.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -42.11 -50.12 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -118.98 172.86 7.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.557 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 1.7 tp -87.29 -54.19 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -42.13 -28.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 97.3 m -82.62 -45.37 14.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.562 HD11 ' CD1' ' A' ' 21' ' ' PHE . 20.7 tp -55.53 -44.33 76.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -52.99 -27.41 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.3 m -83.48 -21.19 32.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 4.3 t60 -75.09 -20.78 59.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.415 ' N ' HD21 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -75.88 -3.02 32.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -70.13 -28.63 65.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 pt -82.72 -20.48 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.564 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 54.6 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.773 0.239 . . . . 0.0 112.314 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 86.8 m-85 -118.59 84.94 25.61 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.674 0.749 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.54 54.23 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.728 2.285 . . . . 0.0 112.354 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 15.1 t -69.96 162.07 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.465 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.3 tt0 -101.47 -38.49 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.521 HG22 ' CG ' ' A' ' 34' ' ' HIS . 5.2 mp -66.62 -72.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -89.66 -48.99 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.424 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.55 -20.43 4.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.544 HG22 ' CE1' ' A' ' 21' ' ' PHE . 3.5 m -43.98 133.38 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 0.0 111.185 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -96.62 147.67 23.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 49.3 m-85 -123.32 136.87 54.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -38.65 -49.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -123.21 162.3 22.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 8.2 tp -74.07 -57.31 4.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.0 pt20 -37.17 -33.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' LEU . 61.7 m -79.96 -41.66 25.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 24' ' ' LEU . 22.5 tp -57.61 -48.38 79.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -51.85 -31.61 28.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -82.53 -18.25 42.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.618 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.0 t60 -76.8 -26.56 54.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.458 HD21 ' CD1' ' A' ' 16' ' ' ILE . 2.8 mt -68.39 -3.91 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -72.38 -38.85 68.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.3 pt -72.96 -11.44 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.521 ' CG ' HG22 ' A' ' 16' ' ' ILE . 29.6 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.423 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.768 0.237 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 77.2 m-85 -116.94 85.66 18.14 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.688 0.756 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 151.38 69.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 6.4 t -81.16 160.59 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.3 tp10 -98.24 -40.26 8.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.574 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.4 mp -62.63 -73.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.9 p -93.5 -49.4 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.444 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 135.86 -19.23 3.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.563 HG22 ' CE1' ' A' ' 21' ' ' PHE . 18.4 m -45.83 125.11 5.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.782 0.325 . . . . 0.0 111.096 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -85.12 169.64 13.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 50.8 m-85 -147.0 136.6 22.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -41.93 -54.45 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -113.41 160.6 18.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 3.2 tm? -75.81 -60.65 2.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' LEU . 7.5 pt20 -36.66 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 24' ' ' LEU . 93.2 m -77.94 -49.04 14.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 21' ' ' PHE . 16.8 tp -51.7 -40.17 59.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -58.25 -30.1 66.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -84.24 -14.99 48.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.568 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.9 t60 -78.94 -21.68 46.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 16' ' ' ILE . 1.8 mt -73.46 -5.0 37.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.56 -35.51 79.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.5 pt -77.76 -12.75 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.574 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 36.7 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.407 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.804 0.252 . . . . 0.0 112.365 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.407 ' CD1' ' HG2' ' A' ' 11' ' ' PRO . 81.1 m-85 -116.94 84.23 15.76 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.637 0.732 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 151.41 68.73 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.341 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.441 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 43.0 t -82.04 162.46 22.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.5 tp10 -100.68 -36.34 9.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.573 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.3 mp -68.59 -73.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.1 p -93.1 -49.09 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.441 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 135.57 -23.85 3.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.9 m -38.48 114.63 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 0.0 111.135 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -80.45 160.83 25.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.564 ' CD1' HD13 ' A' ' 27' ' ' LEU . 43.4 m-85 -135.86 166.21 23.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 8.8 ptp180 -75.84 -40.55 54.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.457 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 4.0 m170 -123.5 161.14 25.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 2.1 tm? -75.95 -62.67 1.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' LEU . 6.2 pt20 -38.41 -30.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' LEU . 72.5 m -77.13 -52.39 9.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.564 HD13 ' CD1' ' A' ' 21' ' ' PHE . 14.9 tp -54.06 -43.1 69.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' CE ' HD13 ' A' ' 24' ' ' LEU . 29.4 mttm -53.06 -33.39 51.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -80.34 -23.33 40.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.484 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 3.8 t60 -69.48 -20.17 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mt -73.45 -9.47 58.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -44.36 95.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.9 pt -67.41 -17.88 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.573 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 29.5 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.797 0.249 . . . . 0.0 112.336 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 85.6 m-85 -118.26 85.64 25.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.662 0.744 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 147.14 62.32 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.384 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 11.8 t -75.08 161.91 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.475 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 2.0 mm-40 -100.97 -39.43 7.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.514 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 4.1 mp -66.13 -72.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.3 p -89.47 -45.76 9.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.422 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 127.56 -22.69 5.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -45.59 128.76 8.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 111.127 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -89.81 156.82 18.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.607 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 18.1 m-85 -130.9 136.5 48.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 21' ' ' PHE . 53.9 ttt180 -37.59 -53.81 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -120.42 157.66 28.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 6.2 tp -70.31 -57.04 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' LEU . 4.7 pt20 -37.31 -31.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' LEU . 87.2 m -81.34 -42.78 20.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.543 HD13 ' CD1' ' A' ' 21' ' ' PHE . 28.9 tp -56.54 -44.79 81.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -53.74 -32.56 52.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 m -80.95 -19.53 43.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.607 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.9 t60 -76.51 -28.15 56.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.465 ' N ' HD21 ' A' ' 31' ' ' LEU . 2.0 mt -71.3 -5.16 30.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -35.48 79.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.5 pt -76.01 -28.76 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.514 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 48.8 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.764 0.235 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.57 ' CD2' ' HB2' ' A' ' 24' ' ' LEU . 86.4 m-85 -118.68 84.56 25.07 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.65 0.738 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 133.53 25.87 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 34.6 t -57.32 162.07 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.434 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.1 tt0 -101.85 -37.15 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.522 HG22 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -67.14 -72.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -91.62 -47.76 7.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.436 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.87 -27.19 3.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.476 HG22 ' CE1' ' A' ' 21' ' ' PHE . 24.1 m -37.96 123.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.8 0.333 . . . . 0.0 111.161 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.401 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 17.5 mtp180 -85.87 165.41 16.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.556 ' CD1' HD11 ' A' ' 27' ' ' LEU . 30.1 m-85 -142.6 129.64 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.483 ' HD2' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -36.6 -38.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.483 ' N ' ' HD2' ' A' ' 22' ' ' ARG . 10.9 m170 -129.3 169.91 14.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 5.0 tp -87.38 -57.79 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.47 ' CD ' ' N ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -36.3 -39.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.47 ' N ' ' CD ' ' A' ' 25' ' ' GLN . 42.2 m -74.31 -41.12 61.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD11 ' CD1' ' A' ' 21' ' ' PHE . 21.2 tp -60.33 -54.2 48.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -42.92 -34.71 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' CD ' ' A' ' 32' ' ' ARG . 44.6 t -79.4 -29.99 42.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.502 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.3 t60 -63.02 -24.02 67.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 31' ' ' LEU . 3.0 mt -68.71 -5.33 19.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.416 ' CD ' ' O ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -67.04 -47.58 70.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.0 pt -62.78 -22.47 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.522 ' CG ' HG22 ' A' ' 16' ' ' ILE . 41.6 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m -87.95 161.69 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -114.38 137.82 51.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.86 -155.11 25.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -47.92 160.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.387 . . . . 0.0 110.827 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -114.88 -50.01 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.64 60.99 1.25 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.51 -80.58 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -135.2 120.71 19.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 10.5 mtpp 69.2 54.86 0.53 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 53.6 Cg_endo -69.77 3.09 2.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.481 ' CD2' HD23 ' A' ' 24' ' ' LEU . 84.0 m-85 -117.68 86.55 24.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.688 0.756 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 140.64 42.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 32.7 t -64.27 161.42 16.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.428 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 10.9 tp10 -99.48 -37.98 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.528 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.3 mp -66.69 -72.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -91.89 -47.71 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.421 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.68 -26.86 3.59 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.539 HG23 ' CE1' ' A' ' 21' ' ' PHE . 5.6 m -41.27 118.53 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.164 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.432 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 14.1 mtt85 -79.29 170.18 17.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.564 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 39.1 m-85 -143.8 130.95 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' PHE . 40.5 mmm-85 -34.47 -47.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -118.97 162.44 18.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.481 HD23 ' CD2' ' A' ' 12' ' ' TYR . 3.4 tm? -76.95 -63.83 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.462 ' N ' HD11 ' A' ' 24' ' ' LEU . 11.5 pt20 -34.78 -36.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' LEU . 60.9 m -68.02 -51.39 47.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.443 HD11 ' CD1' ' A' ' 21' ' ' PHE . 22.6 tp -49.57 -49.64 45.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 29.9 mttm -46.73 -36.6 7.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.475 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 12.9 m -78.79 -23.56 45.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 13.3 t60 -72.47 -15.41 61.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.459 HD23 ' CD1' ' A' ' 16' ' ' ILE . 2.6 mt -78.58 -10.75 59.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -62.99 -41.97 99.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.6 pt -69.02 -26.35 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.528 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 47.8 m-70 -72.9 -53.72 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 t -103.59 130.85 51.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 155.06 78.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 m -96.7 103.51 15.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.964 0.411 . . . . 0.0 110.83 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.48 -158.13 21.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.526 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -10.3 28.22 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.722 2.282 . . . . 0.0 112.332 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.4 p -80.75 126.36 31.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 t 65.64 42.12 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.521 179.996 . . . . . . . . 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 -0.285 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.9 p -67.63 170.21 8.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.833 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -140.0 123.1 16.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.54 -115.18 3.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 m 56.6 41.75 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.824 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 t -134.9 130.36 35.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.48 104.09 0.17 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -138.85 109.99 0.69 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.431 ' O ' ' CD ' ' A' ' 11' ' ' PRO . 48.4 mt-10 -47.43 132.65 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.949 0.404 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.07 71.47 0.29 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.554 0.692 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.431 ' CD ' ' O ' ' A' ' 9' ' ' GLU . 54.1 Cg_endo -69.73 3.12 2.94 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 85.6 m-85 -118.35 85.68 26.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.723 0.773 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.82 63.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.319 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 19' ' ' THR . 18.5 t -73.44 162.07 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 16.5 pt-20 -101.8 -38.21 7.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.547 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.4 mp -66.38 -71.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.1 p -90.51 -47.52 7.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.414 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.75 -20.57 4.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 14' ' ' CYS . 11.2 m -43.48 139.08 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.103 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -103.07 146.83 27.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.566 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 46.0 m-85 -123.16 139.84 53.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -40.16 -50.63 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -121.7 162.74 20.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 5.8 tp -74.45 -55.08 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -39.07 -32.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.1 m -80.11 -42.14 24.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 24' ' ' LEU . 10.9 tp -58.81 -49.28 78.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -51.18 -27.93 9.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 t -86.69 -20.2 28.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.566 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 7.7 t60 -73.7 -18.33 61.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -76.48 -2.62 33.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -31.21 69.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.8 pt -82.08 -16.52 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.547 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 51.1 m-70 -82.89 -47.68 11.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.3 t -112.71 119.65 38.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.25 164.51 28.32 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -114.87 90.94 3.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.943 0.401 . . . . 0.0 110.834 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.14 160.62 26.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 106.32 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.6 t -105.48 124.56 49.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 t -50.07 99.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.508 179.995 . . . . . . . . 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 1.451 -0.359 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -140.13 118.36 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 0.0 110.869 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -62.42 -59.79 4.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 85.01 83.71 1.02 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 4' ' ' GLY . 22.9 t -36.47 149.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.892 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.7 m -111.26 -49.81 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.76 119.86 2.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.512 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' O ' ' CE ' ' A' ' 10' ' ' LYS . . . 112.62 121.81 3.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.43 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 43.0 mm-40 -59.72 -45.28 92.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.954 0.407 . . . . 0.0 110.88 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.472 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 31.1 mtmt 37.9 52.26 2.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 53.7 Cg_endo -69.72 3.12 2.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.516 ' CD2' ' HB2' ' A' ' 24' ' ' LEU . 78.4 m-85 -116.61 86.98 19.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.732 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 145.65 57.8 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.715 2.277 . . . . 0.0 112.325 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 20.4 t -69.5 161.92 28.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.452 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.4 tp10 -99.94 -38.73 8.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.567 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.3 mp -64.73 -71.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.5 p -94.03 -48.22 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.421 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.48 -25.13 3.47 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.5 m -40.77 121.89 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.323 . . . . 0.0 111.147 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.452 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 13.6 mtt180 -84.39 165.75 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.553 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 38.3 m-85 -140.71 134.17 29.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 17.6 ptt-85 -38.38 -44.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 7.9 m170 -120.48 162.93 18.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.516 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 3.0 tm? -78.91 -62.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.469 ' N ' HD11 ' A' ' 24' ' ' LEU . 1.6 pp0? -34.93 -45.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 m -60.39 -52.54 64.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.191 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 21' ' ' PHE . 23.0 tp -49.48 -50.58 40.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 45.9 mttt -44.56 -34.96 2.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.5 ' O ' ' CD ' ' A' ' 32' ' ' ARG . 3.5 m -80.42 -33.24 37.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.553 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 8.1 t60 -57.83 -21.9 44.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.47 HD22 ' CD1' ' A' ' 16' ' ' ILE . 2.7 mt -71.31 -9.7 58.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -60.61 -47.29 86.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.0 pt -65.45 -19.82 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.567 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 32.1 m-70 -80.27 -56.05 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.5 t -95.2 130.81 41.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.85 -63.54 0.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.1 m -78.37 166.14 23.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.93 0.395 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.2 153.66 48.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.99 3.98 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.4 m 63.63 44.68 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 t 40.64 43.88 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.532 179.993 . . . . . . . . 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 -0.342 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -101.84 132.11 47.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 4' ' ' GLY . 6.7 t -59.66 173.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.854 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -36.03 152.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 t -156.61 144.11 19.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.391 . . . . 0.0 110.829 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 p -124.82 161.63 26.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.83 83.09 0.95 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.54 86.39 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' O ' ' CD ' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -65.6 148.75 51.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.932 0.396 . . . . 0.0 110.904 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HB3' ' N ' ' A' ' 21' ' ' PHE . 20.3 mttp -106.58 71.67 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.446 ' CD ' ' O ' ' A' ' 9' ' ' GLU . 54.1 Cg_endo -69.71 3.37 2.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 87.4 m-85 -118.74 85.7 28.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.66 0.743 . . . . 0.0 110.911 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.26 66.63 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.65 2.233 . . . . 0.0 112.326 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 15.9 t -75.41 162.07 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.461 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.4 tp10 -100.41 -38.92 8.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.523 HG23 ' CG ' ' A' ' 34' ' ' HIS . 5.2 mp -66.48 -72.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.6 p -89.91 -48.4 7.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.436 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.75 -24.56 3.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.499 HG22 ' CE1' ' A' ' 21' ' ' PHE . 3.5 m -41.71 130.34 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 111.143 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.46 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 11.4 mtt180 -93.27 159.46 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.603 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 45.0 m-85 -133.34 144.13 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.464 ' N ' ' HG2' ' A' ' 10' ' ' LYS . 20.1 ptt180 -46.5 -54.36 9.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -112.32 164.34 13.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 3.2 tm? -77.9 -62.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 24' ' ' LEU . 11.4 pt20 -34.24 -37.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' LEU . 85.0 m -71.73 -49.15 41.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' LEU . 15.8 tp -48.91 -46.07 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.47 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 35.3 mttm -55.84 -29.32 59.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.446 ' HA ' ' CZ ' ' A' ' 32' ' ' ARG . 50.1 m -84.63 -15.94 43.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.603 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 8.0 t60 -76.86 -23.91 52.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.442 ' N ' HD21 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -72.59 -1.91 17.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -72.47 -38.88 68.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.0 pt -73.19 -15.87 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.523 ' CG ' HG23 ' A' ' 16' ' ' ILE . 30.6 m-70 -80.96 -43.53 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 t -115.15 130.51 56.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.72 157.68 29.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.494 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.3 p -86.34 107.04 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.837 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.56 -96.59 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.455 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 136.07 31.98 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.266 . . . . 0.0 112.351 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.7 t -117.76 -60.77 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.7 p -75.22 118.91 18.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.406 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.498 179.986 . . . . . . . . 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 -0.332 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -106.48 93.53 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 m -160.61 150.34 17.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.77 128.94 2.68 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -102.2 42.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 110.834 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -120.57 105.81 11.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.79 149.1 10.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.16 -176.5 33.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' O ' ' CD ' ' A' ' 11' ' ' PRO . 5.1 pt-20 -162.57 134.33 5.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.896 0.379 . . . . 0.0 110.884 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.428 ' HB3' ' N ' ' A' ' 21' ' ' PHE . 3.1 mtmp? -106.84 72.48 0.31 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.593 0.711 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.429 ' CD ' ' O ' ' A' ' 9' ' ' GLU . 53.6 Cg_endo -69.79 3.62 2.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.272 . . . . 0.0 112.328 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 86.1 m-85 -118.63 84.44 24.54 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.701 0.762 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 141.94 46.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 14.6 t -67.21 162.08 23.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.466 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 6.0 tt0 -101.47 -38.61 7.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.563 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.2 mp -66.22 -72.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.6 p -90.27 -48.77 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.426 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.6 -21.12 4.05 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.425 HG23 ' CE1' ' A' ' 21' ' ' PHE . 22.7 m -43.54 130.93 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.159 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -94.08 151.32 19.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.593 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 45.2 m-85 -127.65 137.72 52.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -40.0 -51.99 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -120.69 158.89 26.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 7.8 tp -71.99 -56.3 5.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -37.59 -29.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 24' ' ' LEU . 38.1 m -83.87 -44.39 14.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' LEU . 19.1 tp -54.6 -47.96 72.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -53.05 -29.46 30.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 m -84.97 -17.07 38.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.593 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.2 t60 -77.6 -23.97 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.463 HD23 ' CD1' ' A' ' 16' ' ' ILE . 1.6 mt -71.01 -3.52 20.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.21 -32.81 70.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.3 pt -80.07 -10.98 12.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.563 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 33.3 m-70 -87.03 -38.62 16.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t -115.31 119.2 35.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.44 -57.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.7 m -52.2 -51.57 57.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.33 149.79 21.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.508 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -19.86 35.54 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.725 2.284 . . . . 0.0 112.34 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t -92.48 142.19 27.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.8 p -95.08 42.14 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.495 179.973 . . . . . . . . 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 -0.305 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 m -110.61 170.23 8.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -57.52 -43.61 84.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.9 123.89 6.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.448 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -71.19 -58.86 3.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 110.829 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -144.9 152.75 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.82 -169.92 13.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.443 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.17 -68.29 3.36 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -61.13 138.33 58.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.96 0.409 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 22' ' ' ARG . 14.4 mttp 60.14 54.97 4.12 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.568 0.699 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 53.8 Cg_endo -69.75 3.38 2.8 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.685 2.256 . . . . 0.0 112.34 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.418 ' CD1' ' HG2' ' A' ' 11' ' ' PRO . 78.9 m-85 -117.0 86.75 20.43 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.69 0.757 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.77 67.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.386 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 34.7 t -73.94 161.37 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.0 tp10 -98.69 -38.12 9.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.567 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.2 mp -65.46 -72.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -93.97 -47.81 6.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.65 -27.38 3.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -37.6 121.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.141 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.456 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 24.8 mtt180 -86.25 164.54 17.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.53 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 31.1 m-85 -139.66 136.83 34.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' N ' ' HG2' ' A' ' 10' ' ' LYS . 22.7 ptt180 -40.77 -42.39 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.453 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 4.9 m170 -122.88 166.38 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 25' ' ' GLN . 3.0 tm? -82.23 -62.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' LEU . 26.4 pt20 -34.34 -42.21 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.427 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 62.6 m -65.81 -52.4 50.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 21' ' ' PHE . 24.3 tp -46.84 -46.74 21.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 30.3 mttm -50.58 -34.11 24.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -79.8 -21.86 43.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.53 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 7.7 t60 -73.07 -22.25 60.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 31' ' ' LEU . 2.4 mt -72.81 -10.14 59.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -60.55 -44.53 96.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.0 pt -66.59 -26.47 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.567 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 37.9 m-70 -73.12 -44.38 60.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.7 t -110.89 38.28 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -114.13 -114.39 3.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.512 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.1 p -57.73 130.82 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.887 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.07 152.39 32.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 2.51 3.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 98.6 p -80.84 44.13 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.0 p -166.42 110.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.508 179.987 . . . . . . . . 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 -0.338 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -144.55 129.14 18.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.1 t -66.11 80.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.48 106.73 0.3 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -75.55 -56.31 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.835 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 t -129.7 83.78 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.15 -150.79 37.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 178.64 72.48 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -147.86 119.37 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 29.4 mttp 60.42 55.04 3.87 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.556 0.693 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.7 Cg_endo -69.78 3.96 2.47 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.443 ' CD1' ' HG2' ' A' ' 11' ' ' PRO . 85.4 m-85 -119.54 86.59 34.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.673 0.749 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 142.18 47.23 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.385 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 19.9 t -64.75 161.95 16.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.452 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.2 tt0 -99.22 -39.0 8.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.517 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.1 mp -66.7 -73.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.8 p -89.67 -47.92 7.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.426 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.22 -26.52 3.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.505 HG22 ' CE1' ' A' ' 21' ' ' PHE . 23.1 m -41.0 124.12 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 111.142 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.467 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 5.0 mtm-85 -85.14 171.19 12.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.505 ' CE1' HG22 ' A' ' 19' ' ' THR . 32.8 m-85 -145.49 133.98 21.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 21' ' ' PHE . 11.6 ptm180 -34.82 -48.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -122.96 166.05 15.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.558 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 1.6 tm? -79.66 -62.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' LEU . 6.2 pt20 -33.51 -35.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 24' ' ' LEU . 60.2 m -73.87 -53.13 10.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.443 HD11 ' CD1' ' A' ' 21' ' ' PHE . 27.2 tp -46.3 -45.25 17.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 50.2 mttt -52.43 -36.41 54.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -75.71 -21.92 57.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.417 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.4 t60 -75.01 -30.33 61.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' N ' HD21 ' A' ' 31' ' ' LEU . 3.7 mt -65.62 -7.79 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -63.6 -43.61 96.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.0 pt -66.32 -30.52 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.517 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 45.8 m-70 -67.95 -55.22 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.4 t -98.5 126.37 44.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.67 -41.53 1.65 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.3 p -143.47 171.38 14.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.77 -152.79 17.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.71 3.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.8 p -81.22 42.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.3 m -47.05 113.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.081 -0.844 . . . . 0.0 112.424 -179.966 . . . . . . . . 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 -0.301 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 p -121.16 94.61 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 p -162.24 117.9 1.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.43 145.47 17.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 p -160.81 131.99 5.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.399 . . . . 0.0 110.822 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 p -158.12 120.71 3.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.54 -100.0 0.27 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.02 -157.44 7.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -124.88 148.75 48.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 1.9 mptp? -109.38 73.63 0.61 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.546 0.689 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.435 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.8 Cg_endo -69.77 3.05 3.0 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 88.2 m-85 -119.1 86.41 31.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 151.59 69.14 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.639 2.226 . . . . 0.0 112.359 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.439 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 30.1 t -78.02 161.79 27.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.9 tp10 -99.69 -38.3 8.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.565 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.3 mp -66.75 -72.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.6 p -91.57 -48.7 6.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.425 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.42 -22.71 3.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.562 HG21 ' CE1' ' A' ' 21' ' ' PHE . 15.6 m -41.23 125.15 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.323 . . . . 0.0 111.126 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.462 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 5.0 mtt-85 -90.75 152.31 20.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.562 ' CE1' HG21 ' A' ' 19' ' ' THR . 39.0 m-85 -127.74 146.31 50.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.469 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 15.1 tpp85 -44.2 -55.93 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -114.94 168.62 9.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 1.9 tm? -79.1 -61.08 2.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' LEU . 11.9 pt20 -34.2 -36.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' LEU . 76.0 m -73.65 -49.33 26.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' LEU . 21.1 tp -48.35 -45.11 35.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 25.6 mttm -55.09 -28.51 53.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 32' ' ' ARG . 27.1 m -82.94 -19.62 36.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 8.1 t60 -76.97 -21.91 54.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.8 mt -75.63 -2.35 28.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -71.94 -28.72 63.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.7 pt -84.36 -13.2 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.565 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 47.5 m-70 -85.41 -47.91 9.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 t -108.24 133.64 52.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.83 152.36 15.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.1 t -81.51 -46.6 14.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.853 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.07 -157.37 20.56 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.6 48.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.635 2.223 . . . . 0.0 112.325 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 41' ' ' SER . 77.6 p -60.32 98.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 40' ' ' SER . 19.4 m -37.21 152.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.525 -179.958 . . . . . . . . 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 -0.336 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -113.14 141.56 46.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -162.9 164.85 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.817 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.52 53.71 0.76 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -116.76 43.17 2.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.812 0.339 . . . . 0.0 110.837 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -51.73 150.54 3.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.81 121.83 4.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.59 -40.01 3.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.446 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -54.68 -176.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 110.931 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -108.35 79.72 1.02 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.424 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo -69.75 3.18 2.92 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 85.0 m-85 -118.08 85.89 24.96 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.671 0.748 . . . . 0.0 110.869 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 151.88 69.35 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.742 2.295 . . . . 0.0 112.36 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 16.5 t -78.58 161.99 26.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.461 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.5 tt0 -100.63 -38.71 8.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.566 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.4 mp -65.56 -72.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -91.68 -49.03 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.425 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.43 -21.09 3.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.44 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.569 HG22 ' CE1' ' A' ' 21' ' ' PHE . 14.0 m -42.55 131.97 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.0 mtt85 -96.28 146.13 24.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.569 ' CE1' HG22 ' A' ' 19' ' ' THR . 41.7 m-85 -122.57 134.58 54.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.467 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 13.9 ttt180 -36.67 -57.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -108.66 171.77 7.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 1.9 tm? -86.34 -62.08 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 24' ' ' LEU . 6.2 pt20 -36.16 -30.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' LEU . 83.4 m -78.88 -46.78 17.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 24' ' ' LEU . 17.5 tp -50.86 -43.28 59.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -56.53 -33.15 65.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.6 t -78.9 -17.99 54.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.568 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.7 t60 -77.39 -25.21 50.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -73.63 -0.15 14.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -26.93 62.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.5 pt -86.58 -14.93 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.566 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 45.3 m-70 -82.74 -44.6 15.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.75 134.37 47.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.093 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.95 178.54 21.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.1 m 48.44 41.26 16.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.862 0.363 . . . . 0.0 110.808 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.23 143.99 10.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 90.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.9 p -107.31 136.03 47.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -96.2 95.03 7.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.509 ' C ' ' CG2' ' A' ' 16' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 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 -0.341 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 p -78.95 133.58 36.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.361 . . . . 0.0 110.861 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m 38.03 42.62 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.886 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.45 -110.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t 50.99 43.59 28.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 0.0 110.862 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -117.0 152.17 35.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.89 54.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.58 125.81 2.99 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.525 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.426 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 33.8 mm-40 -122.36 144.84 48.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -109.89 67.81 0.45 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.426 ' HD3' ' C ' ' A' ' 9' ' ' GLU . 54.1 Cg_endo -69.74 3.53 2.71 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 80.4 m-85 -117.3 85.21 19.11 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.724 0.773 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.16 69.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.431 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 41.1 t -80.82 162.11 24.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.415 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 11.2 pt-20 -102.01 -36.33 8.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.565 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.4 mp -68.62 -72.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -91.15 -48.38 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.431 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.97 -20.92 3.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.484 HG22 ' CE1' ' A' ' 21' ' ' PHE . 43.6 m -39.35 135.68 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.325 . . . . 0.0 111.147 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -101.37 142.63 32.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.515 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 43.7 m-85 -120.03 157.81 28.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 17.0 ptp180 -63.18 -47.31 83.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.402 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 4.6 m170 -122.35 156.09 34.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 4.4 tp -70.81 -52.92 17.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -41.88 -29.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 98.8 m -83.83 -44.77 13.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.424 HD11 ' CD1' ' A' ' 21' ' ' PHE . 17.7 tp -56.12 -41.88 75.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -56.75 -29.63 62.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 t -85.21 -14.68 46.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.515 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.1 t60 -78.58 -23.29 46.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 16' ' ' ILE . 1.3 mt -73.24 -3.13 24.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -72.28 -28.59 63.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 pt -84.03 -11.68 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.565 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 43.5 m-70 -86.61 -34.25 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 t -119.49 71.91 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -141.78 -72.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.454 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.3 t -167.5 117.46 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.394 . . . . 0.0 110.841 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.71 139.69 2.79 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 105.0 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.4 m -54.36 -49.54 69.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 t -113.97 147.32 38.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.512 179.969 . . . . . . . . 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 -0.356 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 p -75.86 90.29 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.824 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 t -42.38 -43.67 3.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.06 -56.15 0.22 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 m 52.58 41.56 31.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.894 0.378 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -141.22 160.07 40.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.82 133.94 11.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -132.14 130.89 6.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' CD ' ' A' ' 11' ' ' PRO . 17.3 mp0 -131.21 156.51 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.909 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' HG2' ' N ' ' A' ' 22' ' ' ARG . 47.7 mttt -106.56 71.94 0.28 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.559 0.695 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.444 ' CD ' ' O ' ' A' ' 9' ' ' GLU . 54.2 Cg_endo -69.75 3.3 2.85 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.382 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 84.6 m-85 -118.12 85.15 23.55 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.711 0.767 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 136.79 33.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.649 2.233 . . . . 0.0 112.4 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 18.7 t -61.76 161.97 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.456 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -100.79 -38.52 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.524 HG23 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -66.3 -72.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.7 p -91.38 -48.94 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.434 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.1 -21.12 4.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.525 HG23 ' CE1' ' A' ' 21' ' ' PHE . 3.2 m -44.1 116.17 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.139 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -79.02 150.23 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.652 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 45.6 m-85 -125.33 133.21 52.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.469 ' N ' ' HG2' ' A' ' 10' ' ' LYS . 35.8 mmm-85 -36.92 -56.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -113.59 159.42 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 1.8 tp -74.65 -58.33 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -38.12 -27.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 24' ' ' LEU . 85.8 m -83.08 -44.51 15.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' LEU . 20.5 tp -53.58 -49.08 68.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -51.78 -30.46 23.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.7 t -84.03 -18.64 36.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.652 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.2 t60 -75.87 -24.03 55.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.462 HD22 ' CD1' ' A' ' 16' ' ' ILE . 2.4 mt -71.93 -2.47 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -73.41 -32.01 64.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 pt -80.5 -11.71 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.524 ' CG ' HG23 ' A' ' 16' ' ' ILE . 35.9 m-70 -85.26 -48.12 9.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.9 t -113.97 118.55 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.87 86.19 1.71 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.2 t -126.3 -39.27 2.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 110.859 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.03 -160.54 10.14 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -5.29 15.88 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.252 . . . . 0.0 112.353 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.6 m -137.64 114.52 10.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 p -52.59 156.91 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.503 -179.956 . . . . . . . . 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 -0.342 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 p -125.14 146.88 49.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.1 p -58.09 136.66 57.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.22 -134.24 2.7 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -128.17 94.87 4.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -156.08 144.82 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.44 178.16 19.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.09 165.52 14.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 11' ' ' PRO . 65.5 mt-10 -64.24 152.94 39.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.937 0.399 . . . . 0.0 110.848 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 2.4 mptt -107.06 71.14 0.28 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.571 0.701 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.437 ' CD ' ' O ' ' A' ' 9' ' ' GLU . 54.1 Cg_endo -69.79 4.43 2.21 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.321 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 87.7 m-85 -119.55 85.25 31.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.751 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 146.76 61.5 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' THR . 28.6 t -70.28 161.98 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.6 tp10 -100.48 -38.12 8.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.461 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.1 mp -67.85 -73.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.0 p -88.58 -48.92 7.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.425 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.72 -20.18 4.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.452 HG21 ' CE1' ' A' ' 21' ' ' PHE . 22.6 m -42.34 136.99 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 111.138 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.434 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 16.1 mtp85 -101.02 149.39 23.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.532 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 43.6 m-85 -126.06 143.46 51.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 13.8 ptp180 -47.13 -42.67 19.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.464 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 3.6 m-70 -122.91 165.01 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.552 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 1.6 tm? -79.15 -64.39 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' LEU . 18.0 pt20 -34.79 -41.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.1 m -67.2 -45.08 77.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' LEU . 16.3 tp -55.83 -48.3 75.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 58.5 mttt -51.23 -29.58 14.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 t -82.87 -21.51 34.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.532 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.2 t60 -73.89 -19.37 60.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.459 HD23 ' CD1' ' A' ' 16' ' ' ILE . 2.2 mt -72.79 -4.53 32.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -69.41 -41.36 76.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.2 pt -70.6 -11.21 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.461 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 28.1 m-70 -86.84 -72.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 t -65.05 -38.8 92.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.03 74.72 0.3 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 m -115.9 -57.44 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.939 0.4 . . . . 0.0 110.856 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.37 -99.24 2.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 142.62 48.6 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.5 m 58.15 46.81 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 m -75.67 167.73 21.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.118 -0.824 . . . . 0.0 112.507 -179.973 . . . . . . . . 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 -0.358 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -111.95 -51.9 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -45.81 -46.3 15.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.48 163.9 1.2 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -101.67 95.2 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.826 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -63.26 -58.32 7.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.95 -171.49 24.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.45 151.41 6.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.536 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -163.24 110.31 1.18 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.901 0.381 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 1.0 OUTLIER 49.23 52.0 11.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.556 0.693 . . . . 0.0 110.921 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 53.7 Cg_endo -69.74 3.63 2.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 81.8 m-85 -117.6 85.69 21.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.652 0.739 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 137.09 34.64 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 12.3 t -64.93 162.15 17.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 6.4 pt-20 -102.98 -38.3 7.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.56 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.3 mp -64.22 -71.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -93.78 -47.74 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.431 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.44 -27.46 3.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.569 HG23 ' CE1' ' A' ' 21' ' ' PHE . 17.1 m -41.44 122.82 2.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 111.15 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.453 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 13.5 mtm180 -83.92 170.99 13.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.575 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 33.4 m-85 -146.21 135.9 23.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -39.59 -55.65 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -118.18 155.89 29.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 14.2 tp -69.34 -53.48 19.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -40.21 -26.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' LEU . 61.5 m -86.67 -41.96 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 21' ' ' PHE . 20.5 tp -58.46 -47.6 83.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -52.73 -33.34 47.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 t -80.67 -18.95 46.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.575 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 4.8 t60 -76.01 -33.71 59.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 16' ' ' ILE . 2.8 mt -63.0 -7.43 5.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -42.22 99.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.7 pt -71.05 -20.64 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.56 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 30.9 m-70 -77.22 -43.05 34.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 15.1 t -127.27 117.81 23.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.51 90.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.502 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 t -100.8 125.02 47.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.41 149.52 15.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 96.32 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.324 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.0 m -97.02 -57.81 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -143.47 107.39 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.454 -179.982 . . . . . . . . 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 -0.313 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 m -145.71 111.96 5.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -124.66 116.39 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.94 66.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m -51.36 -61.1 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -57.87 -48.58 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.68 111.59 1.12 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.444 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.8 -113.24 3.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -106.7 134.36 49.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -116.98 77.91 9.16 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.561 0.696 . . . . 0.0 110.961 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 3.32 2.83 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 80.7 m-85 -118.33 85.6 25.7 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.741 0.781 . . . . 0.0 110.944 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.84 52.22 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 12.7 t -69.75 162.09 28.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.4 tt0 -102.55 -38.4 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.562 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.4 mp -66.03 -71.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.8 p -90.41 -48.18 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.419 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.01 -20.35 4.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.508 HG21 ' CE1' ' A' ' 21' ' ' PHE . 17.5 m -44.69 135.35 5.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.805 0.336 . . . . 0.0 111.134 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -98.35 146.12 26.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.611 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 32.2 m-85 -122.38 141.23 51.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.457 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 9.3 tpp85 -42.58 -53.72 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -118.88 161.42 20.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 5.4 tp -74.11 -56.66 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.414 ' HA ' ' NZ ' ' A' ' 28' ' ' LYS . 10.7 pt20 -37.34 -34.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.3 m -79.47 -42.49 25.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 24' ' ' LEU . 22.9 tp -56.48 -50.81 70.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 25' ' ' GLN . 8.4 mtmp? -48.44 -32.87 8.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.1 t -79.78 -24.45 41.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.611 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.6 t60 -70.54 -23.62 62.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.461 ' N ' HD21 ' A' ' 31' ' ' LEU . 2.0 mt -71.69 -3.24 20.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.407 ' NH1' ' O ' ' A' ' 28' ' ' LYS . 7.8 mpt_? -69.74 -37.73 76.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.7 pt -75.77 -12.88 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.562 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 40.2 m-70 -86.12 -48.59 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.0 t -110.27 33.21 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.59 76.17 0.26 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 m -56.92 149.68 18.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.864 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.96 154.82 35.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 41' ' ' SER . 54.4 Cg_endo -69.7 -5.38 16.03 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.7 2.267 . . . . 0.0 112.392 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -39.96 97.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 39' ' ' PRO . 43.9 t -138.95 152.69 47.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.494 -179.969 . . . . . . . . 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 1.451 -0.336 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -149.67 137.7 20.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -72.62 106.87 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.79 109.77 0.98 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 p -66.77 153.24 43.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m -63.61 140.44 58.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.75 91.21 1.56 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.27 -131.91 7.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -153.11 167.9 27.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.399 . . . . 0.0 110.91 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 19.4 mttm -120.52 75.34 25.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.609 0.718 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 4.49 2.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.557 ' CD2' ' HB2' ' A' ' 24' ' ' LEU . 83.2 m-85 -118.28 82.88 19.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.678 0.751 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.82 58.57 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 10.0 t -72.06 160.83 31.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 11.6 pt-20 -98.86 -39.65 8.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.564 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.4 mp -63.93 -73.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.0 p -91.66 -48.54 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.437 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 135.14 -17.98 4.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.412 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 96.3 m -44.01 131.0 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 111.124 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.447 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 7.1 mtt180 -96.79 155.48 16.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.562 ' CD1' HD11 ' A' ' 27' ' ' LEU . 20.8 m-85 -134.39 142.01 47.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -42.11 -50.12 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -118.98 172.86 7.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.557 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 1.7 tp -87.29 -54.19 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -42.13 -28.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 97.3 m -82.62 -45.37 14.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.562 HD11 ' CD1' ' A' ' 21' ' ' PHE . 20.7 tp -55.53 -44.33 76.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -52.99 -27.41 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.3 m -83.48 -21.19 32.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 4.3 t60 -75.09 -20.78 59.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.415 ' N ' HD21 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -75.88 -3.02 32.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -70.13 -28.63 65.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 pt -82.72 -20.48 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.564 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 54.6 m-70 -78.5 -43.9 25.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.403 ' O ' ' CG2' ' A' ' 35' ' ' THR . 14.8 t -123.61 116.71 23.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.28 159.81 15.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.542 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 p -104.28 122.47 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.855 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.16 -160.12 9.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 99.19 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' SER . 32.4 m -94.58 42.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' SER . 16.0 m -35.7 -44.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.499 -179.998 . . . . . . . . 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 1.45 -0.382 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.5 p -142.72 154.46 44.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.82 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 m -109.61 138.38 46.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.9 -165.14 30.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -162.88 106.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 7' ' ' GLY . 7.3 t -92.04 81.28 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.4 65.67 0.42 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.12 55.97 0.69 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -53.08 151.1 5.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 0.0 110.937 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 3.4 mptt -110.19 73.88 0.78 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.71 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.5 Cg_endo -69.82 3.48 2.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.25 . . . . 0.0 112.314 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 86.8 m-85 -118.59 84.94 25.61 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.674 0.749 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.54 54.23 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.728 2.285 . . . . 0.0 112.354 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 15.1 t -69.96 162.07 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.465 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.3 tt0 -101.47 -38.49 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.521 HG22 ' CG ' ' A' ' 34' ' ' HIS . 5.2 mp -66.62 -72.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -89.66 -48.99 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.55 -20.43 4.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.544 HG22 ' CE1' ' A' ' 21' ' ' PHE . 3.5 m -43.98 133.38 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 0.0 111.185 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 17.1 mtt180 -96.62 147.67 23.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 49.3 m-85 -123.32 136.87 54.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -38.65 -49.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -123.21 162.3 22.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 8.2 tp -74.07 -57.31 4.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.0 pt20 -37.17 -33.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' LEU . 61.7 m -79.96 -41.66 25.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 24' ' ' LEU . 22.5 tp -57.61 -48.38 79.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -51.85 -31.61 28.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -82.53 -18.25 42.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.618 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.0 t60 -76.8 -26.56 54.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.458 HD21 ' CD1' ' A' ' 16' ' ' ILE . 2.8 mt -68.39 -3.91 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -72.38 -38.85 68.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.3 pt -72.96 -11.44 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.521 ' CG ' HG22 ' A' ' 16' ' ' ILE . 29.6 m-70 -85.65 -74.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.0 t -61.53 -38.48 87.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.55 -71.69 1.01 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.453 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 t -69.35 129.28 39.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.835 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.21 175.98 28.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 123.52 10.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.9 p -124.31 147.62 48.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -166.04 114.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.492 -179.997 . . . . . . . . 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 1.451 -0.326 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 p -67.19 -43.59 81.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -101.06 -50.42 3.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.8 -158.04 28.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -157.88 130.71 7.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 t -133.55 149.8 51.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.33 -90.94 0.15 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.93 86.26 0.58 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -110.76 159.19 17.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' HB3' ' N ' ' A' ' 21' ' ' PHE . 46.0 mttp -113.12 70.8 1.33 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.551 0.691 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.423 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo -69.67 4.0 2.41 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.34 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 77.2 m-85 -116.94 85.66 18.14 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.688 0.756 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 151.38 69.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 6.4 t -81.16 160.59 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.3 tp10 -98.24 -40.26 8.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.574 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.4 mp -62.63 -73.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.9 p -93.5 -49.4 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.444 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 135.86 -19.23 3.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.563 HG22 ' CE1' ' A' ' 21' ' ' PHE . 18.4 m -45.83 125.11 5.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.782 0.325 . . . . 0.0 111.096 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -85.12 169.64 13.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 50.8 m-85 -147.0 136.6 22.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -41.93 -54.45 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -113.41 160.6 18.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 3.2 tm? -75.81 -60.65 2.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' LEU . 7.5 pt20 -36.66 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 24' ' ' LEU . 93.2 m -77.94 -49.04 14.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 21' ' ' PHE . 16.8 tp -51.7 -40.17 59.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 mttm -58.25 -30.1 66.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -84.24 -14.99 48.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.568 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.9 t60 -78.94 -21.68 46.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.467 HD21 ' CD1' ' A' ' 16' ' ' ILE . 1.8 mt -73.46 -5.0 37.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.56 -35.51 79.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.5 pt -77.76 -12.75 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.574 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 36.7 m-70 -86.39 -38.84 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t -108.98 76.43 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -143.19 -161.3 8.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -105.94 90.03 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.964 0.412 . . . . 0.0 110.856 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.83 -154.7 10.96 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.545 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 40' ' ' SER . 54.2 Cg_endo -69.71 2.1 3.81 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.721 2.281 . . . . 0.0 112.367 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' PRO . 69.0 m -34.65 135.74 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.4 p -96.67 136.39 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.526 179.963 . . . . . . . . 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 1.451 -0.344 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 40.3 42.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.901 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -117.17 -56.78 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.5 157.59 2.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 p -131.01 119.87 22.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m 51.41 38.54 22.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.23 85.8 0.12 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.57 80.98 1.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -118.24 165.75 13.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.405 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 30.2 mttm -107.81 75.29 0.5 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.572 0.701 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.407 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.7 Cg_endo -69.77 4.24 2.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.365 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.407 ' CD1' ' HG2' ' A' ' 11' ' ' PRO . 81.1 m-85 -116.94 84.23 15.76 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.637 0.732 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 151.41 68.73 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.341 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.441 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 43.0 t -82.04 162.46 22.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.5 tp10 -100.68 -36.34 9.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.573 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 5.3 mp -68.59 -73.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.1 p -93.1 -49.09 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 135.57 -23.85 3.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.9 m -38.48 114.63 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 0.0 111.135 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.47 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 31.2 mtt180 -80.45 160.83 25.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.564 ' CD1' HD13 ' A' ' 27' ' ' LEU . 43.4 m-85 -135.86 166.21 23.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 8.8 ptp180 -75.84 -40.55 54.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.457 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 4.0 m170 -123.5 161.14 25.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.508 ' C ' ' CD1' ' A' ' 24' ' ' LEU . 2.1 tm? -75.95 -62.67 1.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' LEU . 6.2 pt20 -38.41 -30.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' LEU . 72.5 m -77.13 -52.39 9.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.564 HD13 ' CD1' ' A' ' 21' ' ' PHE . 14.9 tp -54.06 -43.1 69.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' CE ' HD13 ' A' ' 24' ' ' LEU . 29.4 mttm -53.06 -33.39 51.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -80.34 -23.33 40.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.484 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 3.8 t60 -69.48 -20.17 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mt -73.45 -9.47 58.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -44.36 95.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.9 pt -67.41 -17.88 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.573 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 29.5 m-70 -81.26 -55.86 4.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 t -92.38 125.99 37.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.66 -75.25 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 38' ' ' GLY . 15.1 t -170.07 155.18 5.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -36.01 148.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.539 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 158.31 57.31 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.3 m -80.9 -55.09 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.6 t -86.2 97.76 10.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.53 -179.981 . . . . . . . . 0 0 . 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 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m -45.2 112.93 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.895 0.379 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -71.11 106.27 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.41 92.45 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 m -123.67 123.9 41.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -85.02 95.99 9.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.46 70.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.06 75.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 11' ' ' PRO . 3.9 mm-40 -119.51 162.56 18.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.953 0.406 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 4.4 mptt -106.76 72.28 0.3 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.435 ' CD ' ' O ' ' A' ' 9' ' ' GLU . 53.6 Cg_endo -69.75 3.23 2.89 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 85.6 m-85 -118.26 85.64 25.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.662 0.744 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 147.14 62.32 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.384 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 11.8 t -75.08 161.91 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 2.0 mm-40 -100.97 -39.43 7.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.514 ' HB ' ' CD2' ' A' ' 34' ' ' HIS . 4.1 mp -66.13 -72.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.3 p -89.47 -45.76 9.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.422 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 127.56 -22.69 5.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -45.59 128.76 8.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 111.127 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.458 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 10.9 mtm180 -89.81 156.82 18.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.607 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 18.1 m-85 -130.9 136.5 48.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.465 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 53.9 ttt180 -37.59 -53.81 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -120.42 157.66 28.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 6.2 tp -70.31 -57.04 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' LEU . 4.7 pt20 -37.31 -31.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' LEU . 87.2 m -81.34 -42.78 20.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.543 HD13 ' CD1' ' A' ' 21' ' ' PHE . 28.9 tp -56.54 -44.79 81.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -53.74 -32.56 52.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 m -80.95 -19.53 43.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.607 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.9 t60 -76.51 -28.15 56.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.465 ' N ' HD21 ' A' ' 31' ' ' LEU . 2.0 mt -71.3 -5.16 30.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -35.48 79.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.5 pt -76.01 -28.76 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.514 ' CD2' ' HB ' ' A' ' 16' ' ' ILE . 48.8 m-70 -67.84 -58.47 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.4 t -104.07 123.7 47.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -147.24 141.11 9.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.6 m -128.31 40.75 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.72 173.06 15.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 118.43 5.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.6 p -59.75 176.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.1 p -41.24 160.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.524 179.98 . . . . . . . . 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 -0.347 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -120.14 146.56 45.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.871 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -89.11 169.21 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.74 -174.06 28.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 t -65.15 -47.2 77.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.938 0.399 . . . . 0.0 110.894 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -113.3 106.46 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.876 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.46 -105.46 0.86 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.7 177.98 19.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.53 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -93.52 101.04 13.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.933 0.397 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 15.0 mtpp 62.82 53.94 1.96 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.531 0.681 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 54.2 Cg_endo -69.78 3.87 2.53 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.347 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.57 ' CD2' ' HB2' ' A' ' 24' ' ' LEU . 86.4 m-85 -118.68 84.56 25.07 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.65 0.738 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 133.53 25.87 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 34.6 t -57.32 162.07 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.1 tt0 -101.85 -37.15 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.522 HG22 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -67.14 -72.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -91.62 -47.76 7.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.436 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.87 -27.19 3.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.476 HG22 ' CE1' ' A' ' 21' ' ' PHE . 24.1 m -37.96 123.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.8 0.333 . . . . 0.0 111.161 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.447 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 17.5 mtp180 -85.87 165.41 16.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.556 ' CD1' HD11 ' A' ' 27' ' ' LEU . 30.1 m-85 -142.6 129.64 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.483 ' HD2' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -36.6 -38.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.483 ' N ' ' HD2' ' A' ' 22' ' ' ARG . 10.9 m170 -129.3 169.91 14.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 5.0 tp -87.38 -57.79 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.47 ' CD ' ' N ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -36.3 -39.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.47 ' N ' ' CD ' ' A' ' 25' ' ' GLN . 42.2 m -74.31 -41.12 61.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD11 ' CD1' ' A' ' 21' ' ' PHE . 21.2 tp -60.33 -54.2 48.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -42.92 -34.71 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' CD ' ' A' ' 32' ' ' ARG . 44.6 t -79.4 -29.99 42.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.502 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.3 t60 -63.02 -24.02 67.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 31' ' ' LEU . 3.0 mt -68.71 -5.33 19.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.416 ' CD ' ' O ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -67.04 -47.58 70.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.0 pt -62.78 -22.47 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.522 ' CG ' HG22 ' A' ' 16' ' ' ILE . 41.6 m-70 -77.25 -53.43 7.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.3 t -102.28 120.3 40.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.55 -35.43 4.93 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.1 m 59.47 42.27 17.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.928 0.394 . . . . 0.0 110.88 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.57 -157.98 7.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 106.26 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.358 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t -43.12 162.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.0 p -113.69 130.84 56.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.487 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.794 0.247 . . . . 0.0 112.341 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.797 ' CD2' HD23 ' A' ' 24' ' ' LEU . 84.0 m-85 -117.68 86.55 24.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.688 0.756 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 140.64 42.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.466 ' HA ' HD21 ' A' ' 27' ' ' LEU . 32.7 t -64.27 161.42 16.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.428 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 10.9 tp10 -99.48 -37.98 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.753 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -66.69 -72.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -91.89 -47.71 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.68 -26.86 3.59 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.426 HG22 ' CE1' ' A' ' 21' ' ' PHE . 5.6 m -41.27 118.53 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.164 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -79.29 170.18 17.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.564 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 39.1 m-85 -143.8 130.95 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' PHE . 40.5 mmm-85 -34.47 -47.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -118.97 162.44 18.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.797 HD23 ' CD2' ' A' ' 12' ' ' TYR . 3.4 tm? -76.95 -63.83 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 24' ' ' LEU . 11.5 pt20 -34.78 -36.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' LEU . 60.9 m -68.02 -51.39 47.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 14' ' ' CYS . 22.6 tp -49.57 -49.64 45.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.578 ' HE2' HD11 ' A' ' 24' ' ' LEU . 29.9 mttm -46.73 -36.6 7.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.484 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 12.9 m -78.79 -23.56 45.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 13.3 t60 -72.47 -15.41 61.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 16' ' ' ILE . 2.6 mt -78.58 -10.75 59.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.484 ' NE ' ' HA ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -62.99 -41.97 99.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.6 pt -69.02 -26.35 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.753 ' CG ' HG21 ' A' ' 16' ' ' ILE . 47.8 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 120.805 0.252 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 85.6 m-85 -118.35 85.68 26.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.723 0.773 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.82 63.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.319 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' THR . 18.5 t -73.44 162.07 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.458 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 16.5 pt-20 -101.8 -38.21 7.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.828 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -66.38 -71.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.1 p -90.51 -47.52 7.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.428 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.75 -20.57 4.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' CYS . 11.2 m -43.48 139.08 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.103 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -103.07 146.83 27.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.566 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 46.0 m-85 -123.16 139.84 53.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -40.16 -50.63 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -121.7 162.74 20.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.578 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 5.8 tp -74.45 -55.08 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -39.07 -32.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.1 m -80.11 -42.14 24.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.506 HD13 ' CD1' ' A' ' 21' ' ' PHE . 10.9 tp -58.81 -49.28 78.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -51.18 -27.93 9.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 t -86.69 -20.2 28.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.566 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 7.7 t60 -73.7 -18.33 61.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.542 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -76.48 -2.62 33.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -31.21 69.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.8 pt -82.08 -16.52 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.828 ' CG ' HG21 ' A' ' 16' ' ' ILE . 51.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.833 0.264 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.735 ' CD2' HD23 ' A' ' 24' ' ' LEU . 78.4 m-85 -116.61 86.98 19.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.732 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 145.65 57.8 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.715 2.277 . . . . 0.0 112.325 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 20.4 t -69.5 161.92 28.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.452 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.4 tp10 -99.94 -38.73 8.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.744 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -64.73 -71.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.5 p -94.03 -48.22 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.48 -25.13 3.47 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.5 m -40.77 121.89 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.323 . . . . 0.0 111.147 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -84.39 165.75 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.553 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 38.3 m-85 -140.71 134.17 29.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 17.6 ptt-85 -38.38 -44.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.476 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 7.9 m170 -120.48 162.93 18.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.735 HD23 ' CD2' ' A' ' 12' ' ' TYR . 3.0 tm? -78.91 -62.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 24' ' ' LEU . 1.6 pp0? -34.93 -45.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 m -60.39 -52.54 64.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.191 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.431 HD13 ' CD1' ' A' ' 21' ' ' PHE . 23.0 tp -49.48 -50.58 40.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 45.9 mttt -44.56 -34.96 2.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.5 ' O ' ' CD ' ' A' ' 32' ' ' ARG . 3.5 m -80.42 -33.24 37.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.553 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 8.1 t60 -57.83 -21.9 44.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.505 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.7 mt -71.31 -9.7 58.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -60.61 -47.29 86.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.0 pt -65.45 -19.82 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.744 ' CG ' HG21 ' A' ' 16' ' ' ILE . 32.1 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.813 0.255 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.688 ' CD2' HD23 ' A' ' 24' ' ' LEU . 87.4 m-85 -118.74 85.7 28.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.66 0.743 . . . . 0.0 110.911 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.26 66.63 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.65 2.233 . . . . 0.0 112.326 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 15.9 t -75.41 162.07 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.461 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.4 tp10 -100.41 -38.92 8.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.635 HD13 ' HD2' ' A' ' 34' ' ' HIS . 5.2 mp -66.48 -72.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.6 p -89.91 -48.4 7.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.75 -24.56 3.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -41.71 130.34 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 111.143 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -93.27 159.46 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.603 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 45.0 m-85 -133.34 144.13 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -46.5 -54.36 9.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -112.32 164.34 13.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.688 HD23 ' CD2' ' A' ' 12' ' ' TYR . 3.2 tm? -77.9 -62.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 24' ' ' LEU . 11.4 pt20 -34.24 -37.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' LEU . 85.0 m -71.73 -49.15 41.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' LEU . 15.8 tp -48.91 -46.07 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 35.3 mttm -55.84 -29.32 59.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 32' ' ' ARG . 50.1 m -84.63 -15.94 43.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.603 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 8.0 t60 -76.86 -23.91 52.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.541 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -72.59 -1.91 17.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -72.47 -38.88 68.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.0 pt -73.19 -15.87 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.635 ' HD2' HD13 ' A' ' 16' ' ' ILE . 30.6 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.401 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.799 0.25 . . . . 0.0 112.328 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 86.1 m-85 -118.63 84.44 24.54 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.701 0.762 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 141.94 46.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 14.6 t -67.21 162.08 23.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.466 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 6.0 tt0 -101.47 -38.61 7.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.731 HD13 ' HD2' ' A' ' 34' ' ' HIS . 5.2 mp -66.22 -72.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.6 p -90.27 -48.77 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.44 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.6 -21.12 4.05 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 22.7 m -43.54 130.93 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.159 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -94.08 151.32 19.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.593 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 45.2 m-85 -127.65 137.72 52.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -40.0 -51.99 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -120.69 158.89 26.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.583 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 7.8 tp -71.99 -56.3 5.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -37.59 -29.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 24' ' ' LEU . 38.1 m -83.87 -44.39 14.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.533 HD13 ' CD1' ' A' ' 21' ' ' PHE . 19.1 tp -54.6 -47.96 72.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -53.05 -29.46 30.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 m -84.97 -17.07 38.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.593 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.2 t60 -77.6 -23.97 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.541 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.6 mt -71.01 -3.52 20.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.21 -32.81 70.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.3 pt -80.07 -10.98 12.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.731 ' HD2' HD13 ' A' ' 16' ' ' ILE . 33.3 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 120.801 0.251 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.719 ' CD2' HD23 ' A' ' 24' ' ' LEU . 78.9 m-85 -117.0 86.75 20.43 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.69 0.757 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.77 67.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.386 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 34.7 t -73.94 161.37 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.42 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.0 tp10 -98.69 -38.12 9.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.75 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.2 mp -65.46 -72.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -93.97 -47.81 6.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.65 -27.38 3.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -37.6 121.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.141 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 -86.25 164.54 17.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.53 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 31.1 m-85 -139.66 136.83 34.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 22.7 ptt180 -40.77 -42.39 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 4.9 m170 -122.88 166.38 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.719 HD23 ' CD2' ' A' ' 12' ' ' TYR . 3.0 tm? -82.23 -62.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' LEU . 26.4 pt20 -34.34 -42.21 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 62.6 m -65.81 -52.4 50.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.3 tp -46.84 -46.74 21.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HE2' HD11 ' A' ' 24' ' ' LEU . 30.3 mttm -50.58 -34.11 24.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -79.8 -21.86 43.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.53 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 7.7 t60 -73.07 -22.25 60.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.509 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.4 mt -72.81 -10.14 59.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -60.55 -44.53 96.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.0 pt -66.59 -26.47 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.75 ' CG ' HG21 ' A' ' 16' ' ' ILE . 37.9 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.149 0 CA-C-O 120.826 0.261 . . . . 0.0 112.355 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.668 ' CD2' HD23 ' A' ' 24' ' ' LEU . 85.4 m-85 -119.54 86.59 34.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.673 0.749 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 142.18 47.23 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.385 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 19.9 t -64.75 161.95 16.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.452 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.2 tt0 -99.22 -39.0 8.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.684 HD13 ' CD2' ' A' ' 34' ' ' HIS . 5.1 mp -66.7 -73.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.8 p -89.67 -47.92 7.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.442 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.22 -26.52 3.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.1 m -41.0 124.12 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 111.142 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.419 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 5.0 mtm-85 -85.14 171.19 12.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.451 ' CD1' HD13 ' A' ' 27' ' ' LEU . 32.8 m-85 -145.49 133.98 21.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 21' ' ' PHE . 11.6 ptm180 -34.82 -48.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -122.96 166.05 15.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.721 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.6 tm? -79.66 -62.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' LEU . 6.2 pt20 -33.51 -35.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 24' ' ' LEU . 60.2 m -73.87 -53.13 10.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.451 HD13 ' CD1' ' A' ' 21' ' ' PHE . 27.2 tp -46.3 -45.25 17.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 50.2 mttt -52.43 -36.41 54.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -75.71 -21.92 57.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.417 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.4 t60 -75.01 -30.33 61.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 31' ' ' LEU . 3.7 mt -65.62 -7.79 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -63.6 -43.61 96.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.0 pt -66.32 -30.52 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.684 ' CD2' HD13 ' A' ' 16' ' ' ILE . 45.8 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.794 0.247 . . . . 0.0 112.371 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.8 ' HD2' HD23 ' A' ' 24' ' ' LEU . 88.2 m-85 -119.1 86.41 31.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 151.59 69.14 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.639 2.226 . . . . 0.0 112.359 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.444 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 30.1 t -78.02 161.79 27.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.9 tp10 -99.69 -38.3 8.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.819 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -66.75 -72.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.6 p -91.57 -48.7 6.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.444 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.42 -22.71 3.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 m -41.23 125.15 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.323 . . . . 0.0 111.126 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -90.75 152.31 20.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 30' ' ' HIS . 39.0 m-85 -127.74 146.31 50.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -44.2 -55.93 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -114.94 168.62 9.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.8 HD23 ' HD2' ' A' ' 12' ' ' TYR . 1.9 tm? -79.1 -61.08 2.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' LEU . 11.9 pt20 -34.2 -36.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' LEU . 76.0 m -73.65 -49.33 26.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' LEU . 21.1 tp -48.35 -45.11 35.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 25.6 mttm -55.09 -28.51 53.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 32' ' ' ARG . 27.1 m -82.94 -19.62 36.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 8.1 t60 -76.97 -21.91 54.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.509 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.8 mt -75.63 -2.35 28.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -71.94 -28.72 63.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.7 pt -84.36 -13.2 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.819 ' CG ' HG21 ' A' ' 16' ' ' ILE . 47.5 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.808 0.253 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.746 ' HD2' HD23 ' A' ' 24' ' ' LEU . 85.0 m-85 -118.08 85.89 24.96 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.671 0.748 . . . . 0.0 110.869 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 151.88 69.35 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.742 2.295 . . . . 0.0 112.36 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 16.5 t -78.58 161.99 26.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.461 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.5 tt0 -100.63 -38.71 8.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.827 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -65.56 -72.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -91.68 -49.03 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.441 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.43 -21.09 3.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.44 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.0 m -42.55 131.97 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.0 mtt85 -96.28 146.13 24.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 41.7 m-85 -122.57 134.58 54.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' PHE . 13.9 ttt180 -36.67 -57.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -108.66 171.77 7.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.746 HD23 ' HD2' ' A' ' 12' ' ' TYR . 1.9 tm? -86.34 -62.08 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 24' ' ' LEU . 6.2 pt20 -36.16 -30.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' LEU . 83.4 m -78.88 -46.78 17.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 24' ' ' LEU . 17.5 tp -50.86 -43.28 59.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -56.53 -33.15 65.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.6 t -78.9 -17.99 54.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.568 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.7 t60 -77.39 -25.21 50.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.496 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -73.63 -0.15 14.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -26.93 62.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.5 pt -86.58 -14.93 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.827 ' CG ' HG21 ' A' ' 16' ' ' ILE . 45.3 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.768 0.237 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 80.4 m-85 -117.3 85.21 19.11 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.724 0.773 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.16 69.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.451 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 41.1 t -80.82 162.11 24.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.452 ' HG2' HD12 ' A' ' 16' ' ' ILE . 11.2 pt-20 -102.01 -36.33 8.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.825 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -68.62 -72.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -91.15 -48.38 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.97 -20.92 3.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.6 m -39.35 135.68 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.325 . . . . 0.0 111.147 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -101.37 142.63 32.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.531 ' CD1' HD13 ' A' ' 27' ' ' LEU . 43.7 m-85 -120.03 157.81 28.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 17.0 ptp180 -63.18 -47.31 83.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.413 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 4.6 m170 -122.35 156.09 34.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.574 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 4.4 tp -70.81 -52.92 17.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -41.88 -29.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 98.8 m -83.83 -44.77 13.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.531 HD13 ' CD1' ' A' ' 21' ' ' PHE . 17.7 tp -56.12 -41.88 75.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -56.75 -29.63 62.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 t -85.21 -14.68 46.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.515 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.1 t60 -78.58 -23.29 46.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.536 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.3 mt -73.24 -3.13 24.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -72.28 -28.59 63.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 pt -84.03 -11.68 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.825 ' CG ' HG21 ' A' ' 16' ' ' ILE . 43.5 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.838 0.266 . . . . 0.0 112.382 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 84.6 m-85 -118.12 85.15 23.55 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.711 0.767 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 136.79 33.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.649 2.233 . . . . 0.0 112.4 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 18.7 t -61.76 161.97 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.671 ' HG3' HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -100.79 -38.52 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.671 HD12 ' HG3' ' A' ' 15' ' ' GLU . 5.3 mp -66.3 -72.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.7 p -91.38 -48.94 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.1 -21.12 4.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 m -44.1 116.17 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.139 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -79.02 150.23 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.652 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 45.6 m-85 -125.33 133.21 52.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' PHE . 35.8 mmm-85 -36.92 -56.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -113.59 159.42 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.573 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 1.8 tp -74.65 -58.33 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -38.12 -27.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 24' ' ' LEU . 85.8 m -83.08 -44.51 15.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 21' ' ' PHE . 20.5 tp -53.58 -49.08 68.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -51.78 -30.46 23.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.7 t -84.03 -18.64 36.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.652 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.2 t60 -75.87 -24.03 55.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.528 HD22 ' CD1' ' A' ' 16' ' ' ILE . 2.4 mt -71.93 -2.47 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -73.41 -32.01 64.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 pt -80.5 -11.71 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.662 ' CG ' HG21 ' A' ' 16' ' ' ILE . 35.9 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.405 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.804 0.252 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.816 ' HD2' HD23 ' A' ' 24' ' ' LEU . 87.7 m-85 -119.55 85.25 31.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.751 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 146.76 61.5 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' THR . 28.6 t -70.28 161.98 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.442 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.6 tp10 -100.48 -38.12 8.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.689 HD13 ' HD2' ' A' ' 34' ' ' HIS . 5.1 mp -67.85 -73.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.0 p -88.58 -48.92 7.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.442 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.72 -20.18 4.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' CYS . 22.6 m -42.34 136.99 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 111.138 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -101.02 149.39 23.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.532 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 43.6 m-85 -126.06 143.46 51.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 13.8 ptp180 -47.13 -42.67 19.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 3.6 m-70 -122.91 165.01 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.816 HD23 ' HD2' ' A' ' 12' ' ' TYR . 1.6 tm? -79.15 -64.39 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' LEU . 18.0 pt20 -34.79 -41.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.1 m -67.2 -45.08 77.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' LEU . 16.3 tp -55.83 -48.3 75.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 58.5 mttt -51.23 -29.58 14.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 t -82.87 -21.51 34.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.532 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.2 t60 -73.89 -19.37 60.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.52 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.2 mt -72.79 -4.53 32.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -69.41 -41.36 76.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.2 pt -70.6 -11.21 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.689 ' HD2' HD13 ' A' ' 16' ' ' ILE . 28.1 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.419 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.787 0.245 . . . . 0.0 112.343 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.715 ' CD2' HD13 ' A' ' 24' ' ' LEU . 81.8 m-85 -117.6 85.69 21.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.652 0.739 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 137.09 34.64 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 12.3 t -64.93 162.15 17.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.475 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 6.4 pt-20 -102.98 -38.3 7.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.759 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -64.22 -71.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -93.78 -47.74 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.444 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.44 -27.46 3.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.419 HG22 ' CE1' ' A' ' 21' ' ' PHE . 17.1 m -41.44 122.82 2.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 111.15 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.453 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 13.5 mtm180 -83.92 170.99 13.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.631 ' CD1' HD13 ' A' ' 27' ' ' LEU . 33.4 m-85 -146.21 135.9 23.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -39.59 -55.65 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -118.18 155.89 29.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.715 HD13 ' CD2' ' A' ' 12' ' ' TYR . 14.2 tp -69.34 -53.48 19.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -40.21 -26.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' LEU . 61.5 m -86.67 -41.96 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.631 HD13 ' CD1' ' A' ' 21' ' ' PHE . 20.5 tp -58.46 -47.6 83.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -52.73 -33.34 47.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 t -80.67 -18.95 46.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.575 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 4.8 t60 -76.01 -33.71 59.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.508 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.8 mt -63.0 -7.43 5.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -42.22 99.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.7 pt -71.05 -20.64 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.759 ' CG ' HG21 ' A' ' 16' ' ' ILE . 30.9 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.401 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.828 0.262 . . . . 0.0 112.352 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 80.7 m-85 -118.33 85.6 25.7 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.741 0.781 . . . . 0.0 110.944 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.84 52.22 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 12.7 t -69.75 162.09 28.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.4 tt0 -102.55 -38.4 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.819 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -66.03 -71.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.8 p -90.41 -48.18 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.43 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.01 -20.35 4.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.434 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 17.5 m -44.69 135.35 5.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.805 0.336 . . . . 0.0 111.134 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -98.35 146.12 26.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.611 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 32.2 m-85 -122.38 141.23 51.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.3 tpp85 -42.58 -53.72 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -118.88 161.42 20.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.579 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 5.4 tp -74.11 -56.66 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.427 ' HA ' ' NZ ' ' A' ' 28' ' ' LYS . 10.7 pt20 -37.34 -34.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.3 m -79.47 -42.49 25.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.515 HD13 ' CD1' ' A' ' 21' ' ' PHE . 22.9 tp -56.48 -50.81 70.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 25' ' ' GLN . 8.4 mtmp? -48.44 -32.87 8.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.1 t -79.78 -24.45 41.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.611 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.6 t60 -70.54 -23.62 62.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.53 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.0 mt -71.69 -3.24 20.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.407 ' NH1' ' O ' ' A' ' 28' ' ' LYS . 7.8 mpt_? -69.74 -37.73 76.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.7 pt -75.77 -12.88 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.819 ' CG ' HG21 ' A' ' 16' ' ' ILE . 40.2 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.77 0.237 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 83.2 m-85 -118.28 82.88 19.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.678 0.751 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.82 58.57 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 10.0 t -72.06 160.83 31.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 11.6 pt-20 -98.86 -39.65 8.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.857 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -63.93 -73.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.0 p -91.66 -48.54 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.45 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 135.14 -17.98 4.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.414 ' N ' ' HB3' ' A' ' 14' ' ' CYS . 96.3 m -44.01 131.0 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 111.124 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -96.79 155.48 16.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.535 ' CD1' HD13 ' A' ' 27' ' ' LEU . 20.8 m-85 -134.39 142.01 47.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -42.11 -50.12 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -118.98 172.86 7.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 1.7 tp -87.29 -54.19 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -42.13 -28.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 97.3 m -82.62 -45.37 14.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.535 HD13 ' CD1' ' A' ' 21' ' ' PHE . 20.7 tp -55.53 -44.33 76.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -52.99 -27.41 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.3 m -83.48 -21.19 32.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 4.3 t60 -75.09 -20.78 59.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.555 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -75.88 -3.02 32.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -70.13 -28.63 65.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 pt -82.72 -20.48 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.857 ' CG ' HG21 ' A' ' 16' ' ' ILE . 54.6 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.773 0.239 . . . . 0.0 112.314 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.586 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 86.8 m-85 -118.59 84.94 25.61 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.674 0.749 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.54 54.23 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.728 2.285 . . . . 0.0 112.354 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 15.1 t -69.96 162.07 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.465 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.3 tt0 -101.47 -38.49 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.619 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.2 mp -66.62 -72.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -89.66 -48.99 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.55 -20.43 4.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -43.98 133.38 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 0.0 111.185 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -96.62 147.67 23.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 49.3 m-85 -123.32 136.87 54.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -38.65 -49.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -123.21 162.3 22.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.586 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 8.2 tp -74.07 -57.31 4.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.0 pt20 -37.17 -33.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' LEU . 61.7 m -79.96 -41.66 25.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 24' ' ' LEU . 22.5 tp -57.61 -48.38 79.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -51.85 -31.61 28.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -82.53 -18.25 42.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.618 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.0 t60 -76.8 -26.56 54.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.512 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.8 mt -68.39 -3.91 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -72.38 -38.85 68.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.3 pt -72.96 -11.44 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.607 ' CD2' HD13 ' A' ' 16' ' ' ILE . 29.6 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.768 0.237 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 77.2 m-85 -116.94 85.66 18.14 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.688 0.756 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 20' ' ' ARG . 54.0 Cg_endo -69.74 151.38 69.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 6.4 t -81.16 160.59 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.3 tp10 -98.24 -40.26 8.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.847 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -62.63 -73.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.9 p -93.5 -49.4 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.458 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 135.86 -19.23 3.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.43 HG22 ' CE1' ' A' ' 21' ' ' PHE . 18.4 m -45.83 125.11 5.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.782 0.325 . . . . 0.0 111.096 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 35.7 mtm180 -85.12 169.64 13.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 50.8 m-85 -147.0 136.6 22.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -41.93 -54.45 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -113.41 160.6 18.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.741 HD11 ' HE2' ' A' ' 28' ' ' LYS . 3.2 tm? -75.81 -60.65 2.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' LEU . 7.5 pt20 -36.66 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 24' ' ' LEU . 93.2 m -77.94 -49.04 14.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.429 HD13 ' CD1' ' A' ' 21' ' ' PHE . 16.8 tp -51.7 -40.17 59.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.741 ' HE2' HD11 ' A' ' 24' ' ' LEU . 40.6 mttm -58.25 -30.1 66.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -84.24 -14.99 48.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.568 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.9 t60 -78.94 -21.68 46.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.579 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.8 mt -73.46 -5.0 37.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.56 -35.51 79.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.5 pt -77.76 -12.75 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.847 ' CG ' HG21 ' A' ' 16' ' ' ILE . 36.7 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.406 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.804 0.252 . . . . 0.0 112.365 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.406 ' CD1' ' HG2' ' A' ' 11' ' ' PRO . 81.1 m-85 -116.94 84.23 15.76 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.637 0.732 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 151.41 68.73 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.341 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.46 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 43.0 t -82.04 162.46 22.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.5 tp10 -100.68 -36.34 9.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.75 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -68.59 -73.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.1 p -93.1 -49.09 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.46 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 135.57 -23.85 3.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 37.9 m -38.48 114.63 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 0.0 111.135 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -80.45 160.83 25.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.639 ' CD1' HD13 ' A' ' 27' ' ' LEU . 43.4 m-85 -135.86 166.21 23.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 8.8 ptp180 -75.84 -40.55 54.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 4.0 m170 -123.5 161.14 25.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.699 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.1 tm? -75.95 -62.67 1.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' LEU . 6.2 pt20 -38.41 -30.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' LEU . 72.5 m -77.13 -52.39 9.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.639 HD13 ' CD1' ' A' ' 21' ' ' PHE . 14.9 tp -54.06 -43.1 69.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' CE ' HD11 ' A' ' 24' ' ' LEU . 29.4 mttm -53.06 -33.39 51.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -80.34 -23.33 40.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.484 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 3.8 t60 -69.48 -20.17 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.5 mt -73.45 -9.47 58.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -44.36 95.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.9 pt -67.41 -17.88 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.75 ' CG ' HG21 ' A' ' 16' ' ' ILE . 29.5 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.797 0.249 . . . . 0.0 112.336 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 85.6 m-85 -118.26 85.64 25.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.662 0.744 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 147.14 62.32 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.384 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 11.8 t -75.08 161.91 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.475 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 2.0 mm-40 -100.97 -39.43 7.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.818 HD13 ' CD2' ' A' ' 34' ' ' HIS . 4.1 mp -66.13 -72.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.3 p -89.47 -45.76 9.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.435 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 127.56 -22.69 5.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -45.59 128.76 8.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 111.127 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -89.81 156.82 18.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.607 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 18.1 m-85 -130.9 136.5 48.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 21' ' ' PHE . 53.9 ttt180 -37.59 -53.81 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -120.42 157.66 28.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.574 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 6.2 tp -70.31 -57.04 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' LEU . 4.7 pt20 -37.31 -31.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' LEU . 87.2 m -81.34 -42.78 20.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.539 HD13 ' CD1' ' A' ' 21' ' ' PHE . 28.9 tp -56.54 -44.79 81.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -53.74 -32.56 52.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 m -80.95 -19.53 43.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.607 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.9 t60 -76.51 -28.15 56.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.589 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.0 mt -71.3 -5.16 30.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -35.48 79.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.5 pt -76.01 -28.76 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.818 ' CD2' HD13 ' A' ' 16' ' ' ILE . 48.8 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.764 0.235 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.568 ' CD2' ' HB2' ' A' ' 24' ' ' LEU . 86.4 m-85 -118.68 84.56 25.07 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.65 0.738 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 133.53 25.87 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.454 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 34.6 t -57.32 162.07 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.434 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.1 tt0 -101.85 -37.15 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.618 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -67.14 -72.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -91.62 -47.76 7.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.454 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.87 -27.19 3.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.431 HG22 ' CE1' ' A' ' 21' ' ' PHE . 24.1 m -37.96 123.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.8 0.333 . . . . 0.0 111.161 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.401 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 17.5 mtp180 -85.87 165.41 16.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.56 ' CD1' HD13 ' A' ' 27' ' ' LEU . 30.1 m-85 -142.6 129.64 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' HD2' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -36.6 -38.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.488 ' N ' ' HD2' ' A' ' 22' ' ' ARG . 3.0 m80 -129.3 169.91 14.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.568 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 5.0 tp -87.38 -57.79 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.47 ' CD ' ' N ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -36.3 -39.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.47 ' N ' ' CD ' ' A' ' 25' ' ' GLN . 42.2 m -74.31 -41.12 61.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.56 HD13 ' CD1' ' A' ' 21' ' ' PHE . 21.2 tp -60.33 -54.2 48.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -42.92 -34.71 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' CD ' ' A' ' 32' ' ' ARG . 44.6 t -79.4 -29.99 42.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.502 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.3 t60 -63.02 -24.02 67.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.516 ' N ' HD23 ' A' ' 31' ' ' LEU . 3.0 mt -68.71 -5.33 19.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.416 ' CD ' ' O ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -67.04 -47.58 70.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.0 pt -62.78 -22.47 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.618 ' CG ' HG21 ' A' ' 16' ' ' ILE . 41.6 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m -87.95 161.69 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -114.38 137.82 51.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.86 -155.11 25.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -47.92 160.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.387 . . . . 0.0 110.827 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -114.88 -50.01 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.64 60.99 1.25 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.51 -80.58 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -135.2 120.71 19.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 10.5 mtpp 69.2 54.86 0.53 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 53.6 Cg_endo -69.77 3.09 2.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.797 ' CD2' HD23 ' A' ' 24' ' ' LEU . 84.0 m-85 -117.68 86.55 24.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.688 0.756 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 140.64 42.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.466 ' HA ' HD21 ' A' ' 27' ' ' LEU . 32.7 t -64.27 161.42 16.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.428 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 10.9 tp10 -99.48 -37.98 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.753 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -66.69 -72.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -91.89 -47.71 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.68 -26.86 3.59 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.426 HG22 ' CE1' ' A' ' 21' ' ' PHE . 5.6 m -41.27 118.53 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.164 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.453 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 14.1 mtt85 -79.29 170.18 17.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.564 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 39.1 m-85 -143.8 130.95 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' PHE . 40.5 mmm-85 -34.47 -47.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -118.97 162.44 18.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.797 HD23 ' CD2' ' A' ' 12' ' ' TYR . 3.4 tm? -76.95 -63.83 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 24' ' ' LEU . 11.5 pt20 -34.78 -36.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' LEU . 60.9 m -68.02 -51.39 47.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 14' ' ' CYS . 22.6 tp -49.57 -49.64 45.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.578 ' HE2' HD11 ' A' ' 24' ' ' LEU . 29.9 mttm -46.73 -36.6 7.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.484 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 12.9 m -78.79 -23.56 45.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 13.3 t60 -72.47 -15.41 61.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 16' ' ' ILE . 2.6 mt -78.58 -10.75 59.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.484 ' NE ' ' HA ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -62.99 -41.97 99.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.6 pt -69.02 -26.35 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.753 ' CG ' HG21 ' A' ' 16' ' ' ILE . 47.8 m-70 -72.9 -53.72 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 t -103.59 130.85 51.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 155.06 78.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 m -96.7 103.51 15.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.964 0.411 . . . . 0.0 110.83 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.48 -158.13 21.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.526 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -10.3 28.22 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.722 2.282 . . . . 0.0 112.332 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.4 p -80.75 126.36 31.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 t 65.64 42.12 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.521 179.996 . . . . . . . . 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 -0.285 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.9 p -67.63 170.21 8.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.833 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -140.0 123.1 16.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.54 -115.18 3.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 m 56.6 41.75 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.824 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 t -134.9 130.36 35.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.48 104.09 0.17 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -138.85 109.99 0.69 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 48.4 mt-10 -47.43 132.65 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.949 0.404 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.07 71.47 0.29 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.554 0.692 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 9' ' ' GLU . 54.1 Cg_endo -69.73 3.12 2.94 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 85.6 m-85 -118.35 85.68 26.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.723 0.773 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.82 63.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.319 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' THR . 18.5 t -73.44 162.07 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 16.5 pt-20 -101.8 -38.21 7.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.828 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -66.38 -71.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.1 p -90.51 -47.52 7.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.428 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.75 -20.57 4.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' CYS . 11.2 m -43.48 139.08 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.103 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -103.07 146.83 27.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.566 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 46.0 m-85 -123.16 139.84 53.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -40.16 -50.63 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -121.7 162.74 20.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.578 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 5.8 tp -74.45 -55.08 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -39.07 -32.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.1 m -80.11 -42.14 24.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.506 HD13 ' CD1' ' A' ' 21' ' ' PHE . 10.9 tp -58.81 -49.28 78.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -51.18 -27.93 9.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 t -86.69 -20.2 28.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.566 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 7.7 t60 -73.7 -18.33 61.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.542 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -76.48 -2.62 33.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -31.21 69.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.8 pt -82.08 -16.52 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.828 ' CG ' HG21 ' A' ' 16' ' ' ILE . 51.1 m-70 -82.89 -47.68 11.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 35' ' ' THR . 12.3 t -112.71 119.65 38.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.147 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.25 164.51 28.32 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -114.87 90.94 3.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.943 0.401 . . . . 0.0 110.834 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.14 160.62 26.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 106.32 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.6 t -105.48 124.56 49.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 t -50.07 99.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.508 179.995 . . . . . . . . 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 1.451 -0.359 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -140.13 118.36 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 0.0 110.869 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -62.42 -59.79 4.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 85.01 83.71 1.02 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 4' ' ' GLY . 22.9 t -36.47 149.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.892 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.7 m -111.26 -49.81 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.76 119.86 2.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.512 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' O ' ' CE ' ' A' ' 10' ' ' LYS . . . 112.62 121.81 3.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 43.0 mm-40 -59.72 -45.28 92.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.954 0.407 . . . . 0.0 110.88 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' HG2' ' N ' ' A' ' 22' ' ' ARG . 31.1 mtmt 37.9 52.26 2.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 53.7 Cg_endo -69.72 3.12 2.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.735 ' CD2' HD23 ' A' ' 24' ' ' LEU . 78.4 m-85 -116.61 86.98 19.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.732 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 145.65 57.8 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.715 2.277 . . . . 0.0 112.325 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 20.4 t -69.5 161.92 28.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.452 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.4 tp10 -99.94 -38.73 8.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.744 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -64.73 -71.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.5 p -94.03 -48.22 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.48 -25.13 3.47 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.5 m -40.77 121.89 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.323 . . . . 0.0 111.147 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.471 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 13.6 mtt180 -84.39 165.75 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.553 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 38.3 m-85 -140.71 134.17 29.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.482 ' N ' ' HG2' ' A' ' 10' ' ' LYS . 17.6 ptt-85 -38.38 -44.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.476 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 7.9 m170 -120.48 162.93 18.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.735 HD23 ' CD2' ' A' ' 12' ' ' TYR . 3.0 tm? -78.91 -62.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 24' ' ' LEU . 1.6 pp0? -34.93 -45.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 m -60.39 -52.54 64.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.191 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.431 HD13 ' CD1' ' A' ' 21' ' ' PHE . 23.0 tp -49.48 -50.58 40.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 45.9 mttt -44.56 -34.96 2.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.5 ' O ' ' CD ' ' A' ' 32' ' ' ARG . 3.5 m -80.42 -33.24 37.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.553 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 8.1 t60 -57.83 -21.9 44.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.505 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.7 mt -71.31 -9.7 58.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -60.61 -47.29 86.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.0 pt -65.45 -19.82 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.744 ' CG ' HG21 ' A' ' 16' ' ' ILE . 32.1 m-70 -80.27 -56.05 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.5 t -95.2 130.81 41.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.85 -63.54 0.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.1 m -78.37 166.14 23.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.93 0.395 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.2 153.66 48.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.99 3.98 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.4 m 63.63 44.68 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 t 40.64 43.88 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.532 179.993 . . . . . . . . 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 -0.342 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -101.84 132.11 47.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 4' ' ' GLY . 6.7 t -59.66 173.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.854 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -36.03 152.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 t -156.61 144.11 19.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.391 . . . . 0.0 110.829 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 p -124.82 161.63 26.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.83 83.09 0.95 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.54 86.39 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.451 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -65.6 148.75 51.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.932 0.396 . . . . 0.0 110.904 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 20.3 mttp -106.58 71.67 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.451 ' HD3' ' C ' ' A' ' 9' ' ' GLU . 54.1 Cg_endo -69.71 3.37 2.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.688 ' CD2' HD23 ' A' ' 24' ' ' LEU . 87.4 m-85 -118.74 85.7 28.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.66 0.743 . . . . 0.0 110.911 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.26 66.63 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.65 2.233 . . . . 0.0 112.326 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 15.9 t -75.41 162.07 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.461 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.4 tp10 -100.41 -38.92 8.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.635 HD13 ' HD2' ' A' ' 34' ' ' HIS . 5.2 mp -66.48 -72.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.6 p -89.91 -48.4 7.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.75 -24.56 3.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -41.71 130.34 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 111.143 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.481 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 11.4 mtt180 -93.27 159.46 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.603 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 45.0 m-85 -133.34 144.13 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' N ' ' HG2' ' A' ' 10' ' ' LYS . 20.1 ptt180 -46.5 -54.36 9.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -112.32 164.34 13.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.688 HD23 ' CD2' ' A' ' 12' ' ' TYR . 3.2 tm? -77.9 -62.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 24' ' ' LEU . 11.4 pt20 -34.24 -37.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' LEU . 85.0 m -71.73 -49.15 41.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' LEU . 15.8 tp -48.91 -46.07 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 35.3 mttm -55.84 -29.32 59.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 32' ' ' ARG . 50.1 m -84.63 -15.94 43.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.603 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 8.0 t60 -76.86 -23.91 52.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.541 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -72.59 -1.91 17.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -72.47 -38.88 68.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.0 pt -73.19 -15.87 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.635 ' HD2' HD13 ' A' ' 16' ' ' ILE . 30.6 m-70 -80.96 -43.53 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 t -115.15 130.51 56.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.72 157.68 29.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.494 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.3 p -86.34 107.04 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.837 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.56 -96.59 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.455 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 136.07 31.98 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.266 . . . . 0.0 112.351 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.7 t -117.76 -60.77 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.7 p -75.22 118.91 18.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.406 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.498 179.986 . . . . . . . . 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 -0.332 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -106.48 93.53 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 m -160.61 150.34 17.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.77 128.94 2.68 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -102.2 42.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 110.834 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -120.57 105.81 11.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.79 149.1 10.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.16 -176.5 33.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 5.1 pt-20 -162.57 134.33 5.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.896 0.379 . . . . 0.0 110.884 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' HB3' ' N ' ' A' ' 21' ' ' PHE . 3.1 mtmp? -106.84 72.48 0.31 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.593 0.711 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.429 ' HD3' ' C ' ' A' ' 9' ' ' GLU . 53.6 Cg_endo -69.79 3.62 2.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.272 . . . . 0.0 112.328 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 86.1 m-85 -118.63 84.44 24.54 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.701 0.762 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 141.94 46.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 14.6 t -67.21 162.08 23.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.466 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 6.0 tt0 -101.47 -38.61 7.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.731 HD13 ' HD2' ' A' ' 34' ' ' HIS . 5.2 mp -66.22 -72.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.6 p -90.27 -48.77 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.44 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.6 -21.12 4.05 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 22.7 m -43.54 130.93 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.159 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 18.0 mtt180 -94.08 151.32 19.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.593 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 45.2 m-85 -127.65 137.72 52.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -40.0 -51.99 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -120.69 158.89 26.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.583 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 7.8 tp -71.99 -56.3 5.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -37.59 -29.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 24' ' ' LEU . 38.1 m -83.87 -44.39 14.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.533 HD13 ' CD1' ' A' ' 21' ' ' PHE . 19.1 tp -54.6 -47.96 72.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -53.05 -29.46 30.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 m -84.97 -17.07 38.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.593 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.2 t60 -77.6 -23.97 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.541 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.6 mt -71.01 -3.52 20.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.21 -32.81 70.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.3 pt -80.07 -10.98 12.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.731 ' HD2' HD13 ' A' ' 16' ' ' ILE . 33.3 m-70 -87.03 -38.62 16.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t -115.31 119.2 35.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.44 -57.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.7 m -52.2 -51.57 57.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.33 149.79 21.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.508 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -19.86 35.54 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.725 2.284 . . . . 0.0 112.34 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t -92.48 142.19 27.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.8 p -95.08 42.14 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.495 179.973 . . . . . . . . 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 -0.305 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 m -110.61 170.23 8.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -57.52 -43.61 84.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.9 123.89 6.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.448 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -71.19 -58.86 3.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 110.829 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -144.9 152.75 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.82 -169.92 13.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.443 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.17 -68.29 3.36 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -61.13 138.33 58.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.96 0.409 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 22' ' ' ARG . 14.4 mttp 60.14 54.97 4.12 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.568 0.699 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 53.8 Cg_endo -69.75 3.38 2.8 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.685 2.256 . . . . 0.0 112.34 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.719 ' CD2' HD23 ' A' ' 24' ' ' LEU . 78.9 m-85 -117.0 86.75 20.43 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.69 0.757 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.77 67.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.386 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 34.7 t -73.94 161.37 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.0 tp10 -98.69 -38.12 9.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.75 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.2 mp -65.46 -72.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -93.97 -47.81 6.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.65 -27.38 3.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -37.6 121.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.141 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.475 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 24.8 mtt180 -86.25 164.54 17.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.53 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 31.1 m-85 -139.66 136.83 34.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.483 ' N ' ' HG2' ' A' ' 10' ' ' LYS . 22.7 ptt180 -40.77 -42.39 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 4.9 m170 -122.88 166.38 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.719 HD23 ' CD2' ' A' ' 12' ' ' TYR . 3.0 tm? -82.23 -62.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' LEU . 26.4 pt20 -34.34 -42.21 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 62.6 m -65.81 -52.4 50.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.3 tp -46.84 -46.74 21.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HE2' HD11 ' A' ' 24' ' ' LEU . 30.3 mttm -50.58 -34.11 24.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -79.8 -21.86 43.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.53 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 7.7 t60 -73.07 -22.25 60.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.509 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.4 mt -72.81 -10.14 59.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -60.55 -44.53 96.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.0 pt -66.59 -26.47 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.75 ' CG ' HG21 ' A' ' 16' ' ' ILE . 37.9 m-70 -73.12 -44.38 60.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.7 t -110.89 38.28 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -114.13 -114.39 3.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.512 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.1 p -57.73 130.82 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.887 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.07 152.39 32.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 2.51 3.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 98.6 p -80.84 44.13 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.0 p -166.42 110.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.508 179.987 . . . . . . . . 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 -0.338 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -144.55 129.14 18.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.1 t -66.11 80.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.48 106.73 0.3 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -75.55 -56.31 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.835 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 t -129.7 83.78 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.15 -150.79 37.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 178.64 72.48 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -147.86 119.37 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.489 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 29.4 mttp 60.42 55.04 3.87 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.556 0.693 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.7 Cg_endo -69.78 3.96 2.47 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.668 ' CD2' HD23 ' A' ' 24' ' ' LEU . 85.4 m-85 -119.54 86.59 34.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.673 0.749 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 142.18 47.23 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.385 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 19.9 t -64.75 161.95 16.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.452 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.2 tt0 -99.22 -39.0 8.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.684 HD13 ' CD2' ' A' ' 34' ' ' HIS . 5.1 mp -66.7 -73.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.8 p -89.67 -47.92 7.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.442 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.22 -26.52 3.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.1 m -41.0 124.12 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 111.142 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.489 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 5.0 mtm-85 -85.14 171.19 12.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.451 ' CD1' HD13 ' A' ' 27' ' ' LEU . 32.8 m-85 -145.49 133.98 21.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 21' ' ' PHE . 11.6 ptm180 -34.82 -48.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -122.96 166.05 15.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.721 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.6 tm? -79.66 -62.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' LEU . 6.2 pt20 -33.51 -35.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 24' ' ' LEU . 60.2 m -73.87 -53.13 10.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.451 HD13 ' CD1' ' A' ' 21' ' ' PHE . 27.2 tp -46.3 -45.25 17.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 50.2 mttt -52.43 -36.41 54.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -75.71 -21.92 57.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.417 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.4 t60 -75.01 -30.33 61.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 31' ' ' LEU . 3.7 mt -65.62 -7.79 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -63.6 -43.61 96.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.0 pt -66.32 -30.52 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.684 ' CD2' HD13 ' A' ' 16' ' ' ILE . 45.8 m-70 -67.95 -55.22 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 35' ' ' THR . 13.4 t -98.5 126.37 44.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.67 -41.53 1.65 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.3 p -143.47 171.38 14.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.77 -152.79 17.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.71 3.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.8 p -81.22 42.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.3 m -47.05 113.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.081 -0.844 . . . . 0.0 112.424 -179.966 . . . . . . . . 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 -0.301 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 p -121.16 94.61 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 p -162.24 117.9 1.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.43 145.47 17.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 p -160.81 131.99 5.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.399 . . . . 0.0 110.822 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 p -158.12 120.71 3.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.54 -100.0 0.27 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.02 -157.44 7.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -124.88 148.75 48.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 1.9 mptp? -109.38 73.63 0.61 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.546 0.689 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.8 Cg_endo -69.77 3.05 3.0 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.8 ' HD2' HD23 ' A' ' 24' ' ' LEU . 88.2 m-85 -119.1 86.41 31.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 151.59 69.14 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.639 2.226 . . . . 0.0 112.359 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.444 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 30.1 t -78.02 161.79 27.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.9 tp10 -99.69 -38.3 8.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.819 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -66.75 -72.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.6 p -91.57 -48.7 6.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.444 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.42 -22.71 3.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 m -41.23 125.15 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.323 . . . . 0.0 111.126 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.483 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 5.0 mtt-85 -90.75 152.31 20.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 30' ' ' HIS . 39.0 m-85 -127.74 146.31 50.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 15.1 tpp85 -44.2 -55.93 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -114.94 168.62 9.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.8 HD23 ' HD2' ' A' ' 12' ' ' TYR . 1.9 tm? -79.1 -61.08 2.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' LEU . 11.9 pt20 -34.2 -36.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' LEU . 76.0 m -73.65 -49.33 26.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' LEU . 21.1 tp -48.35 -45.11 35.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 25.6 mttm -55.09 -28.51 53.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 32' ' ' ARG . 27.1 m -82.94 -19.62 36.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 8.1 t60 -76.97 -21.91 54.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.509 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.8 mt -75.63 -2.35 28.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -71.94 -28.72 63.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.7 pt -84.36 -13.2 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.819 ' CG ' HG21 ' A' ' 16' ' ' ILE . 47.5 m-70 -85.41 -47.91 9.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 t -108.24 133.64 52.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.83 152.36 15.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.1 t -81.51 -46.6 14.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.853 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.07 -157.37 20.56 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.6 48.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.635 2.223 . . . . 0.0 112.325 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 41' ' ' SER . 77.6 p -60.32 98.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 40' ' ' SER . 19.4 m -37.21 152.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.525 -179.958 . . . . . . . . 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 -0.336 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -113.14 141.56 46.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -162.9 164.85 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.817 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.52 53.71 0.76 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -116.76 43.17 2.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.812 0.339 . . . . 0.0 110.837 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -51.73 150.54 3.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.81 121.83 4.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.59 -40.01 3.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.446 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -54.68 -176.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 110.931 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -108.35 79.72 1.02 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo -69.75 3.18 2.92 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.746 ' HD2' HD23 ' A' ' 24' ' ' LEU . 85.0 m-85 -118.08 85.89 24.96 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.671 0.748 . . . . 0.0 110.869 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 151.88 69.35 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.742 2.295 . . . . 0.0 112.36 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 16.5 t -78.58 161.99 26.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.461 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.5 tt0 -100.63 -38.71 8.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.827 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -65.56 -72.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -91.68 -49.03 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.43 -21.09 3.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.44 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.0 m -42.55 131.97 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 22.0 mtt85 -96.28 146.13 24.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 41.7 m-85 -122.57 134.58 54.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 13.9 ttt180 -36.67 -57.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -108.66 171.77 7.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.746 HD23 ' HD2' ' A' ' 12' ' ' TYR . 1.9 tm? -86.34 -62.08 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 24' ' ' LEU . 6.2 pt20 -36.16 -30.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' LEU . 83.4 m -78.88 -46.78 17.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 24' ' ' LEU . 17.5 tp -50.86 -43.28 59.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -56.53 -33.15 65.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.6 t -78.9 -17.99 54.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.568 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.7 t60 -77.39 -25.21 50.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.496 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -73.63 -0.15 14.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -26.93 62.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.5 pt -86.58 -14.93 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.827 ' CG ' HG21 ' A' ' 16' ' ' ILE . 45.3 m-70 -82.74 -44.6 15.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -103.75 134.37 47.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.093 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.95 178.54 21.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.1 m 48.44 41.26 16.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.862 0.363 . . . . 0.0 110.808 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.23 143.99 10.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 90.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.9 p -107.31 136.03 47.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -96.2 95.03 7.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.509 ' C ' ' CG2' ' A' ' 16' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 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 -0.341 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 p -78.95 133.58 36.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.361 . . . . 0.0 110.861 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m 38.03 42.62 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.886 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.45 -110.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t 50.99 43.59 28.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 0.0 110.862 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -117.0 152.17 35.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.89 54.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.58 125.81 2.99 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.525 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.456 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 33.8 mm-40 -122.36 144.84 48.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HB3' ' C ' ' A' ' 20' ' ' ARG . 34.5 mmtt -109.89 67.81 0.45 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.456 ' HD3' ' C ' ' A' ' 9' ' ' GLU . 54.1 Cg_endo -69.74 3.53 2.71 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 80.4 m-85 -117.3 85.21 19.11 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.724 0.773 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.16 69.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.451 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 41.1 t -80.82 162.11 24.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.452 ' HG2' HD12 ' A' ' 16' ' ' ILE . 11.2 pt-20 -102.01 -36.33 8.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.825 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -68.62 -72.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -91.15 -48.38 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.97 -20.92 3.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.6 m -39.35 135.68 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.325 . . . . 0.0 111.147 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' C ' ' HB3' ' A' ' 10' ' ' LYS . 27.3 mtp180 -101.37 142.63 32.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.531 ' CD1' HD13 ' A' ' 27' ' ' LEU . 43.7 m-85 -120.03 157.81 28.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 17.0 ptp180 -63.18 -47.31 83.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.413 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 4.6 m170 -122.35 156.09 34.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.574 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 4.4 tp -70.81 -52.92 17.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -41.88 -29.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 98.8 m -83.83 -44.77 13.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.531 HD13 ' CD1' ' A' ' 21' ' ' PHE . 17.7 tp -56.12 -41.88 75.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -56.75 -29.63 62.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 t -85.21 -14.68 46.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.515 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.1 t60 -78.58 -23.29 46.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.536 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.3 mt -73.24 -3.13 24.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -72.28 -28.59 63.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 pt -84.03 -11.68 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.825 ' CG ' HG21 ' A' ' 16' ' ' ILE . 43.5 m-70 -86.61 -34.25 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 31' ' ' LEU . 2.6 t -119.49 71.91 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -141.78 -72.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.454 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.3 t -167.5 117.46 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.394 . . . . 0.0 110.841 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.71 139.69 2.79 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 105.0 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.4 m -54.36 -49.54 69.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 t -113.97 147.32 38.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.512 179.969 . . . . . . . . 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 -0.356 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 p -75.86 90.29 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.824 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 t -42.38 -43.67 3.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.06 -56.15 0.22 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 m 52.58 41.56 31.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.894 0.378 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -141.22 160.07 40.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.82 133.94 11.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -132.14 130.89 6.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 17.3 mp0 -131.21 156.51 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.909 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 22' ' ' ARG . 47.7 mttt -106.56 71.94 0.28 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.559 0.695 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 9' ' ' GLU . 54.2 Cg_endo -69.75 3.3 2.85 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.382 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 84.6 m-85 -118.12 85.15 23.55 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.711 0.767 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 136.79 33.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.649 2.233 . . . . 0.0 112.4 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 18.7 t -61.76 161.97 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.671 ' HG3' HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -100.79 -38.52 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.671 HD12 ' HG3' ' A' ' 15' ' ' GLU . 5.3 mp -66.3 -72.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.7 p -91.38 -48.94 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.1 -21.12 4.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 m -44.1 116.17 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.139 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -79.02 150.23 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.652 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 45.6 m-85 -125.33 133.21 52.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.484 ' N ' ' HG2' ' A' ' 10' ' ' LYS . 35.8 mmm-85 -36.92 -56.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -113.59 159.42 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.573 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 1.8 tp -74.65 -58.33 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -38.12 -27.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 24' ' ' LEU . 85.8 m -83.08 -44.51 15.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 21' ' ' PHE . 20.5 tp -53.58 -49.08 68.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -51.78 -30.46 23.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.7 t -84.03 -18.64 36.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.652 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.2 t60 -75.87 -24.03 55.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.528 HD22 ' CD1' ' A' ' 16' ' ' ILE . 2.4 mt -71.93 -2.47 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -73.41 -32.01 64.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 pt -80.5 -11.71 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.662 ' CG ' HG21 ' A' ' 16' ' ' ILE . 35.9 m-70 -85.26 -48.12 9.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 35' ' ' THR . 14.9 t -113.97 118.55 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.87 86.19 1.71 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.2 t -126.3 -39.27 2.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 110.859 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.03 -160.54 10.14 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -5.29 15.88 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.252 . . . . 0.0 112.353 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.6 m -137.64 114.52 10.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 p -52.59 156.91 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.503 -179.956 . . . . . . . . 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 -0.342 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 p -125.14 146.88 49.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.1 p -58.09 136.66 57.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.22 -134.24 2.7 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -128.17 94.87 4.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -156.08 144.82 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.44 178.16 19.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.09 165.52 14.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.454 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 65.5 mt-10 -64.24 152.94 39.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.937 0.399 . . . . 0.0 110.848 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 2.4 mptt -107.06 71.14 0.28 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.571 0.701 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.454 ' HD3' ' C ' ' A' ' 9' ' ' GLU . 54.1 Cg_endo -69.79 4.43 2.21 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.321 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.816 ' HD2' HD23 ' A' ' 24' ' ' LEU . 87.7 m-85 -119.55 85.25 31.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.751 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 146.76 61.5 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' THR . 28.6 t -70.28 161.98 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.6 tp10 -100.48 -38.12 8.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.689 HD13 ' HD2' ' A' ' 34' ' ' HIS . 5.1 mp -67.85 -73.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.0 p -88.58 -48.92 7.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.442 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.72 -20.18 4.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' CYS . 22.6 m -42.34 136.99 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 111.138 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.456 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 16.1 mtp85 -101.02 149.39 23.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.532 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 43.6 m-85 -126.06 143.46 51.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 13.8 ptp180 -47.13 -42.67 19.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 3.6 m-70 -122.91 165.01 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.816 HD23 ' HD2' ' A' ' 12' ' ' TYR . 1.6 tm? -79.15 -64.39 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' LEU . 18.0 pt20 -34.79 -41.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.1 m -67.2 -45.08 77.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' LEU . 16.3 tp -55.83 -48.3 75.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 58.5 mttt -51.23 -29.58 14.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 t -82.87 -21.51 34.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.532 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.2 t60 -73.89 -19.37 60.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.52 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.2 mt -72.79 -4.53 32.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -69.41 -41.36 76.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.2 pt -70.6 -11.21 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.689 ' HD2' HD13 ' A' ' 16' ' ' ILE . 28.1 m-70 -86.84 -72.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 t -65.05 -38.8 92.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.03 74.72 0.3 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 m -115.9 -57.44 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.939 0.4 . . . . 0.0 110.856 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.37 -99.24 2.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 142.62 48.6 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.5 m 58.15 46.81 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 m -75.67 167.73 21.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.118 -0.824 . . . . 0.0 112.507 -179.973 . . . . . . . . 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 -0.358 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -111.95 -51.9 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -45.81 -46.3 15.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.48 163.9 1.2 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -101.67 95.2 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.826 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -63.26 -58.32 7.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.95 -171.49 24.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.45 151.41 6.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.536 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -163.24 110.31 1.18 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.901 0.381 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 1.0 OUTLIER 49.23 52.0 11.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.556 0.693 . . . . 0.0 110.921 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 53.7 Cg_endo -69.74 3.63 2.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.715 ' CD2' HD13 ' A' ' 24' ' ' LEU . 81.8 m-85 -117.6 85.69 21.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.652 0.739 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 137.09 34.64 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 12.3 t -64.93 162.15 17.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 6.4 pt-20 -102.98 -38.3 7.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.759 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -64.22 -71.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -93.78 -47.74 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.444 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.44 -27.46 3.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.419 HG22 ' CE1' ' A' ' 21' ' ' PHE . 17.1 m -41.44 122.82 2.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 111.15 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.453 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 13.5 mtm180 -83.92 170.99 13.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.631 ' CD1' HD13 ' A' ' 27' ' ' LEU . 33.4 m-85 -146.21 135.9 23.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -39.59 -55.65 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -118.18 155.89 29.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.715 HD13 ' CD2' ' A' ' 12' ' ' TYR . 14.2 tp -69.34 -53.48 19.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -40.21 -26.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' LEU . 61.5 m -86.67 -41.96 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.631 HD13 ' CD1' ' A' ' 21' ' ' PHE . 20.5 tp -58.46 -47.6 83.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -52.73 -33.34 47.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 t -80.67 -18.95 46.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.575 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 4.8 t60 -76.01 -33.71 59.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.508 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.8 mt -63.0 -7.43 5.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -42.22 99.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.7 pt -71.05 -20.64 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.759 ' CG ' HG21 ' A' ' 16' ' ' ILE . 30.9 m-70 -77.22 -43.05 34.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 35' ' ' THR . 15.1 t -127.27 117.81 23.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.51 90.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.502 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 t -100.8 125.02 47.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.41 149.52 15.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 96.32 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.324 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.0 m -97.02 -57.81 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -143.47 107.39 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.454 -179.982 . . . . . . . . 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 -0.313 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 m -145.71 111.96 5.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -124.66 116.39 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.94 66.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m -51.36 -61.1 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -57.87 -48.58 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.68 111.59 1.12 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.444 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.8 -113.24 3.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -106.7 134.36 49.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -116.98 77.91 9.16 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.561 0.696 . . . . 0.0 110.961 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.401 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.9 Cg_endo -69.73 3.32 2.83 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 80.7 m-85 -118.33 85.6 25.7 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.741 0.781 . . . . 0.0 110.944 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.84 52.22 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 12.7 t -69.75 162.09 28.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.4 tt0 -102.55 -38.4 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.819 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -66.03 -71.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.8 p -90.41 -48.18 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.43 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.01 -20.35 4.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.434 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 17.5 m -44.69 135.35 5.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.805 0.336 . . . . 0.0 111.134 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -98.35 146.12 26.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.611 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 32.2 m-85 -122.38 141.23 51.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.476 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 9.3 tpp85 -42.58 -53.72 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -118.88 161.42 20.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.579 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 5.4 tp -74.11 -56.66 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.427 ' HA ' ' NZ ' ' A' ' 28' ' ' LYS . 10.7 pt20 -37.34 -34.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.3 m -79.47 -42.49 25.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.515 HD13 ' CD1' ' A' ' 21' ' ' PHE . 22.9 tp -56.48 -50.81 70.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 25' ' ' GLN . 8.4 mtmp? -48.44 -32.87 8.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.1 t -79.78 -24.45 41.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.611 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.6 t60 -70.54 -23.62 62.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.53 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.0 mt -71.69 -3.24 20.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.407 ' NH1' ' O ' ' A' ' 28' ' ' LYS . 7.8 mpt_? -69.74 -37.73 76.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.7 pt -75.77 -12.88 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.819 ' CG ' HG21 ' A' ' 16' ' ' ILE . 40.2 m-70 -86.12 -48.59 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.0 t -110.27 33.21 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.59 76.17 0.26 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 m -56.92 149.68 18.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.864 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.96 154.82 35.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 41' ' ' SER . 54.4 Cg_endo -69.7 -5.38 16.03 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.7 2.267 . . . . 0.0 112.392 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -39.96 97.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 39' ' ' PRO . 43.9 t -138.95 152.69 47.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.494 -179.969 . . . . . . . . 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 1.451 -0.336 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -149.67 137.7 20.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -72.62 106.87 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.79 109.77 0.98 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 p -66.77 153.24 43.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m -63.61 140.44 58.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.75 91.21 1.56 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.27 -131.91 7.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -153.11 167.9 27.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.399 . . . . 0.0 110.91 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 19.4 mttm -120.52 75.34 25.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.609 0.718 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 4.49 2.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 83.2 m-85 -118.28 82.88 19.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.678 0.751 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.82 58.57 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 10.0 t -72.06 160.83 31.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 11.6 pt-20 -98.86 -39.65 8.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.857 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -63.93 -73.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.0 p -91.66 -48.54 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 135.14 -17.98 4.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.414 ' N ' ' HB3' ' A' ' 14' ' ' CYS . 96.3 m -44.01 131.0 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 111.124 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.469 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 7.1 mtt180 -96.79 155.48 16.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.535 ' CD1' HD13 ' A' ' 27' ' ' LEU . 20.8 m-85 -134.39 142.01 47.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -42.11 -50.12 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -118.98 172.86 7.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 1.7 tp -87.29 -54.19 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -42.13 -28.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 97.3 m -82.62 -45.37 14.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.535 HD13 ' CD1' ' A' ' 21' ' ' PHE . 20.7 tp -55.53 -44.33 76.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -52.99 -27.41 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.3 m -83.48 -21.19 32.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 4.3 t60 -75.09 -20.78 59.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.555 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -75.88 -3.02 32.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -70.13 -28.63 65.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 pt -82.72 -20.48 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.857 ' CG ' HG21 ' A' ' 16' ' ' ILE . 54.6 m-70 -78.5 -43.9 25.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 35' ' ' THR . 14.8 t -123.61 116.71 23.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.28 159.81 15.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.542 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 p -104.28 122.47 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.855 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.16 -160.12 9.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 99.19 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' SER . 32.4 m -94.58 42.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' SER . 16.0 m -35.7 -44.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.499 -179.998 . . . . . . . . 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 1.45 -0.382 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.5 p -142.72 154.46 44.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.82 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 m -109.61 138.38 46.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.9 -165.14 30.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -162.88 106.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 7' ' ' GLY . 7.3 t -92.04 81.28 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.4 65.67 0.42 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.12 55.97 0.69 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -53.08 151.1 5.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 0.0 110.937 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 3.4 mptt -110.19 73.88 0.78 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.71 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.5 Cg_endo -69.82 3.48 2.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.25 . . . . 0.0 112.314 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.586 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 86.8 m-85 -118.59 84.94 25.61 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.674 0.749 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.54 54.23 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.728 2.285 . . . . 0.0 112.354 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 15.1 t -69.96 162.07 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.465 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.3 tt0 -101.47 -38.49 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.619 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.2 mp -66.62 -72.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -89.66 -48.99 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.55 -20.43 4.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -43.98 133.38 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 0.0 111.185 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 17.1 mtt180 -96.62 147.67 23.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 49.3 m-85 -123.32 136.87 54.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -38.65 -49.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -123.21 162.3 22.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.586 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 8.2 tp -74.07 -57.31 4.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.0 pt20 -37.17 -33.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' LEU . 61.7 m -79.96 -41.66 25.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 24' ' ' LEU . 22.5 tp -57.61 -48.38 79.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -51.85 -31.61 28.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -82.53 -18.25 42.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.618 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.0 t60 -76.8 -26.56 54.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.512 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.8 mt -68.39 -3.91 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -72.38 -38.85 68.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.3 pt -72.96 -11.44 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.607 ' CD2' HD13 ' A' ' 16' ' ' ILE . 29.6 m-70 -85.65 -74.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.0 t -61.53 -38.48 87.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.55 -71.69 1.01 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.453 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 t -69.35 129.28 39.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.835 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.21 175.98 28.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 123.52 10.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.9 p -124.31 147.62 48.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -166.04 114.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.492 -179.997 . . . . . . . . 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 1.451 -0.326 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 p -67.19 -43.59 81.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -101.06 -50.42 3.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.8 -158.04 28.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -157.88 130.71 7.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 t -133.55 149.8 51.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.33 -90.94 0.15 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.93 86.26 0.58 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -110.76 159.19 17.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HB3' ' N ' ' A' ' 21' ' ' PHE . 46.0 mttp -113.12 70.8 1.33 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.551 0.691 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo -69.67 4.0 2.41 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.34 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 77.2 m-85 -116.94 85.66 18.14 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.688 0.756 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 20' ' ' ARG . 54.0 Cg_endo -69.74 151.38 69.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 6.4 t -81.16 160.59 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.3 tp10 -98.24 -40.26 8.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.847 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -62.63 -73.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.9 p -93.5 -49.4 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.458 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 135.86 -19.23 3.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.43 HG22 ' CE1' ' A' ' 21' ' ' PHE . 18.4 m -45.83 125.11 5.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.782 0.325 . . . . 0.0 111.096 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 35.7 mtm180 -85.12 169.64 13.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 50.8 m-85 -147.0 136.6 22.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -41.93 -54.45 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -113.41 160.6 18.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.741 HD11 ' HE2' ' A' ' 28' ' ' LYS . 3.2 tm? -75.81 -60.65 2.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' LEU . 7.5 pt20 -36.66 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 24' ' ' LEU . 93.2 m -77.94 -49.04 14.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.429 HD13 ' CD1' ' A' ' 21' ' ' PHE . 16.8 tp -51.7 -40.17 59.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.741 ' HE2' HD11 ' A' ' 24' ' ' LEU . 40.6 mttm -58.25 -30.1 66.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -84.24 -14.99 48.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.568 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.9 t60 -78.94 -21.68 46.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.579 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.8 mt -73.46 -5.0 37.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.56 -35.51 79.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.5 pt -77.76 -12.75 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.847 ' CG ' HG21 ' A' ' 16' ' ' ILE . 36.7 m-70 -86.39 -38.84 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 31' ' ' LEU . 1.4 t -108.98 76.43 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -143.19 -161.3 8.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -105.94 90.03 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.964 0.412 . . . . 0.0 110.856 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.83 -154.7 10.96 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.545 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 40' ' ' SER . 54.2 Cg_endo -69.71 2.1 3.81 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.721 2.281 . . . . 0.0 112.367 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' PRO . 69.0 m -34.65 135.74 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.4 p -96.67 136.39 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.526 179.963 . . . . . . . . 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 1.451 -0.344 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 40.3 42.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.901 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -117.17 -56.78 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.5 157.59 2.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 p -131.01 119.87 22.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m 51.41 38.54 22.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.23 85.8 0.12 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.57 80.98 1.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -118.24 165.75 13.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.405 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.491 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 30.2 mttm -107.81 75.29 0.5 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.572 0.701 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.406 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.7 Cg_endo -69.77 4.24 2.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.365 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.406 ' CD1' ' HG2' ' A' ' 11' ' ' PRO . 81.1 m-85 -116.94 84.23 15.76 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.637 0.732 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 151.41 68.73 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.341 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 43.0 t -82.04 162.46 22.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.5 tp10 -100.68 -36.34 9.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.75 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -68.59 -73.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.1 p -93.1 -49.09 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.46 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 135.57 -23.85 3.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 37.9 m -38.48 114.63 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 0.0 111.135 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.491 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 31.2 mtt180 -80.45 160.83 25.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.639 ' CD1' HD13 ' A' ' 27' ' ' LEU . 43.4 m-85 -135.86 166.21 23.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 8.8 ptp180 -75.84 -40.55 54.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 4.0 m170 -123.5 161.14 25.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.699 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.1 tm? -75.95 -62.67 1.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' LEU . 6.2 pt20 -38.41 -30.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' LEU . 72.5 m -77.13 -52.39 9.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.639 HD13 ' CD1' ' A' ' 21' ' ' PHE . 14.9 tp -54.06 -43.1 69.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' CE ' HD11 ' A' ' 24' ' ' LEU . 29.4 mttm -53.06 -33.39 51.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -80.34 -23.33 40.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.484 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 3.8 t60 -69.48 -20.17 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.5 mt -73.45 -9.47 58.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -44.36 95.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.9 pt -67.41 -17.88 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.75 ' CG ' HG21 ' A' ' 16' ' ' ILE . 29.5 m-70 -81.26 -55.86 4.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 t -92.38 125.99 37.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.66 -75.25 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 38' ' ' GLY . 15.1 t -170.07 155.18 5.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -36.01 148.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.539 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 158.31 57.31 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.3 m -80.9 -55.09 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.6 t -86.2 97.76 10.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.53 -179.981 . . . . . . . . 0 0 . 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 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m -45.2 112.93 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.895 0.379 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -71.11 106.27 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.41 92.45 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 m -123.67 123.9 41.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -85.02 95.99 9.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.46 70.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.06 75.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 11' ' ' PRO . 3.9 mm-40 -119.51 162.56 18.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.953 0.406 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 4.4 mptt -106.76 72.28 0.3 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.435 ' CD ' ' O ' ' A' ' 9' ' ' GLU . 53.6 Cg_endo -69.75 3.23 2.89 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 85.6 m-85 -118.26 85.64 25.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.662 0.744 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 147.14 62.32 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.384 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 11.8 t -75.08 161.91 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 2.0 mm-40 -100.97 -39.43 7.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.818 HD13 ' CD2' ' A' ' 34' ' ' HIS . 4.1 mp -66.13 -72.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.3 p -89.47 -45.76 9.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.435 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 127.56 -22.69 5.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -45.59 128.76 8.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 111.127 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.478 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 10.9 mtm180 -89.81 156.82 18.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.607 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 18.1 m-85 -130.9 136.5 48.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.485 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 53.9 ttt180 -37.59 -53.81 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -120.42 157.66 28.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.574 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 6.2 tp -70.31 -57.04 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' LEU . 4.7 pt20 -37.31 -31.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' LEU . 87.2 m -81.34 -42.78 20.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.539 HD13 ' CD1' ' A' ' 21' ' ' PHE . 28.9 tp -56.54 -44.79 81.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -53.74 -32.56 52.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 m -80.95 -19.53 43.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.607 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.9 t60 -76.51 -28.15 56.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.589 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.0 mt -71.3 -5.16 30.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -35.48 79.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.5 pt -76.01 -28.76 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.818 ' CD2' HD13 ' A' ' 16' ' ' ILE . 48.8 m-70 -67.84 -58.47 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 35' ' ' THR . 14.4 t -104.07 123.7 47.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -147.24 141.11 9.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.6 m -128.31 40.75 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.72 173.06 15.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 118.43 5.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.6 p -59.75 176.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.1 p -41.24 160.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.524 179.98 . . . . . . . . 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 -0.347 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -120.14 146.56 45.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.871 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -89.11 169.21 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.74 -174.06 28.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 t -65.15 -47.2 77.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.938 0.399 . . . . 0.0 110.894 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -113.3 106.46 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.876 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.46 -105.46 0.86 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.7 177.98 19.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.53 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -93.52 101.04 13.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.933 0.397 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 15.0 mtpp 62.82 53.94 1.96 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.531 0.681 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 54.2 Cg_endo -69.78 3.87 2.53 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.347 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.568 ' CD2' ' HB2' ' A' ' 24' ' ' LEU . 86.4 m-85 -118.68 84.56 25.07 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.65 0.738 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 133.53 25.87 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.454 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 34.6 t -57.32 162.07 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.1 tt0 -101.85 -37.15 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.618 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -67.14 -72.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -91.62 -47.76 7.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.454 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.87 -27.19 3.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.431 HG22 ' CE1' ' A' ' 21' ' ' PHE . 24.1 m -37.96 123.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.8 0.333 . . . . 0.0 111.161 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.468 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 17.5 mtp180 -85.87 165.41 16.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.56 ' CD1' HD13 ' A' ' 27' ' ' LEU . 30.1 m-85 -142.6 129.64 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' HD2' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -36.6 -38.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.488 ' N ' ' HD2' ' A' ' 22' ' ' ARG . 3.0 m80 -129.3 169.91 14.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.568 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 5.0 tp -87.38 -57.79 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.47 ' CD ' ' N ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -36.3 -39.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.47 ' N ' ' CD ' ' A' ' 25' ' ' GLN . 42.2 m -74.31 -41.12 61.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.56 HD13 ' CD1' ' A' ' 21' ' ' PHE . 21.2 tp -60.33 -54.2 48.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -42.92 -34.71 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' CD ' ' A' ' 32' ' ' ARG . 44.6 t -79.4 -29.99 42.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.502 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.3 t60 -63.02 -24.02 67.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.516 ' N ' HD23 ' A' ' 31' ' ' LEU . 3.0 mt -68.71 -5.33 19.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.416 ' CD ' ' O ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -67.04 -47.58 70.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.0 pt -62.78 -22.47 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.618 ' CG ' HG21 ' A' ' 16' ' ' ILE . 41.6 m-70 -77.25 -53.43 7.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 35' ' ' THR . 14.3 t -102.28 120.3 40.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.55 -35.43 4.93 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.1 m 59.47 42.27 17.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.928 0.394 . . . . 0.0 110.88 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.57 -157.98 7.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 106.26 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.358 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t -43.12 162.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.0 p -113.69 130.84 56.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.487 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.794 0.247 . . . . 0.0 112.341 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.797 ' CD2' HD23 ' A' ' 24' ' ' LEU . 84.0 m-85 -117.68 86.55 24.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.688 0.756 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 140.64 42.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.466 ' HA ' HD21 ' A' ' 27' ' ' LEU . 32.7 t -64.27 161.42 16.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.428 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 10.9 tp10 -99.48 -37.98 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.753 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -66.69 -72.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -91.89 -47.71 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.68 -26.86 3.59 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.426 HG22 ' CE1' ' A' ' 21' ' ' PHE . 5.6 m -41.27 118.53 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.164 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -79.29 170.18 17.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.564 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 39.1 m-85 -143.8 130.95 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' PHE . 40.5 mmm-85 -34.47 -47.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -118.97 162.44 18.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.797 HD23 ' CD2' ' A' ' 12' ' ' TYR . 3.4 tm? -76.95 -63.83 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 24' ' ' LEU . 11.5 pt20 -34.78 -36.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' LEU . 60.9 m -68.02 -51.39 47.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 14' ' ' CYS . 22.6 tp -49.57 -49.64 45.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.578 ' HE2' HD11 ' A' ' 24' ' ' LEU . 29.9 mttm -46.73 -36.6 7.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.484 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 12.9 m -78.79 -23.56 45.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 13.3 t60 -72.47 -15.41 61.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 16' ' ' ILE . 2.6 mt -78.58 -10.75 59.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.484 ' NE ' ' HA ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -62.99 -41.97 99.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.6 pt -69.02 -26.35 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.753 ' CG ' HG21 ' A' ' 16' ' ' ILE . 47.8 m-70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 120.805 0.252 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 85.6 m-85 -118.35 85.68 26.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.723 0.773 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.82 63.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.319 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' THR . 18.5 t -73.44 162.07 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.458 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 16.5 pt-20 -101.8 -38.21 7.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.828 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -66.38 -71.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.1 p -90.51 -47.52 7.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.428 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.75 -20.57 4.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' CYS . 11.2 m -43.48 139.08 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.103 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -103.07 146.83 27.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.566 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 46.0 m-85 -123.16 139.84 53.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -40.16 -50.63 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -121.7 162.74 20.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.578 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 5.8 tp -74.45 -55.08 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -39.07 -32.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.1 m -80.11 -42.14 24.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.506 HD13 ' CD1' ' A' ' 21' ' ' PHE . 10.9 tp -58.81 -49.28 78.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -51.18 -27.93 9.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 t -86.69 -20.2 28.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.566 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 7.7 t60 -73.7 -18.33 61.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.542 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -76.48 -2.62 33.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -31.21 69.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.8 pt -82.08 -16.52 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.828 ' CG ' HG21 ' A' ' 16' ' ' ILE . 51.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.833 0.264 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.735 ' CD2' HD23 ' A' ' 24' ' ' LEU . 78.4 m-85 -116.61 86.98 19.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.732 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 145.65 57.8 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.715 2.277 . . . . 0.0 112.325 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 20.4 t -69.5 161.92 28.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.452 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.4 tp10 -99.94 -38.73 8.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.744 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -64.73 -71.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.5 p -94.03 -48.22 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.48 -25.13 3.47 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.5 m -40.77 121.89 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.323 . . . . 0.0 111.147 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtt180 -84.39 165.75 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.553 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 38.3 m-85 -140.71 134.17 29.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 17.6 ptt-85 -38.38 -44.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.476 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 7.9 m170 -120.48 162.93 18.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.735 HD23 ' CD2' ' A' ' 12' ' ' TYR . 3.0 tm? -78.91 -62.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 24' ' ' LEU . 1.6 pp0? -34.93 -45.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 m -60.39 -52.54 64.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.191 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.431 HD13 ' CD1' ' A' ' 21' ' ' PHE . 23.0 tp -49.48 -50.58 40.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 45.9 mttt -44.56 -34.96 2.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.5 ' O ' ' CD ' ' A' ' 32' ' ' ARG . 3.5 m -80.42 -33.24 37.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.553 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 8.1 t60 -57.83 -21.9 44.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.505 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.7 mt -71.31 -9.7 58.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -60.61 -47.29 86.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.0 pt -65.45 -19.82 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.744 ' CG ' HG21 ' A' ' 16' ' ' ILE . 32.1 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.14 0 CA-C-O 120.813 0.255 . . . . 0.0 112.356 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.688 ' CD2' HD23 ' A' ' 24' ' ' LEU . 87.4 m-85 -118.74 85.7 28.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.66 0.743 . . . . 0.0 110.911 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.26 66.63 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.65 2.233 . . . . 0.0 112.326 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 15.9 t -75.41 162.07 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.461 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.4 tp10 -100.41 -38.92 8.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.635 HD13 ' HD2' ' A' ' 34' ' ' HIS . 5.2 mp -66.48 -72.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.6 p -89.91 -48.4 7.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.75 -24.56 3.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -41.71 130.34 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 111.143 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 -93.27 159.46 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.603 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 45.0 m-85 -133.34 144.13 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -46.5 -54.36 9.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -112.32 164.34 13.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.688 HD23 ' CD2' ' A' ' 12' ' ' TYR . 3.2 tm? -77.9 -62.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 24' ' ' LEU . 11.4 pt20 -34.24 -37.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' LEU . 85.0 m -71.73 -49.15 41.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' LEU . 15.8 tp -48.91 -46.07 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 35.3 mttm -55.84 -29.32 59.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 32' ' ' ARG . 50.1 m -84.63 -15.94 43.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.603 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 8.0 t60 -76.86 -23.91 52.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.541 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -72.59 -1.91 17.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -72.47 -38.88 68.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.0 pt -73.19 -15.87 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.635 ' HD2' HD13 ' A' ' 16' ' ' ILE . 30.6 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.401 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.799 0.25 . . . . 0.0 112.328 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 86.1 m-85 -118.63 84.44 24.54 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.701 0.762 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 141.94 46.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 14.6 t -67.21 162.08 23.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.466 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 6.0 tt0 -101.47 -38.61 7.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.731 HD13 ' HD2' ' A' ' 34' ' ' HIS . 5.2 mp -66.22 -72.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.6 p -90.27 -48.77 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.44 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.6 -21.12 4.05 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 22.7 m -43.54 130.93 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.159 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -94.08 151.32 19.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.593 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 45.2 m-85 -127.65 137.72 52.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -40.0 -51.99 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -120.69 158.89 26.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.583 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 7.8 tp -71.99 -56.3 5.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -37.59 -29.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 24' ' ' LEU . 38.1 m -83.87 -44.39 14.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.533 HD13 ' CD1' ' A' ' 21' ' ' PHE . 19.1 tp -54.6 -47.96 72.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -53.05 -29.46 30.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 m -84.97 -17.07 38.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.593 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.2 t60 -77.6 -23.97 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.541 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.6 mt -71.01 -3.52 20.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.21 -32.81 70.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.3 pt -80.07 -10.98 12.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.731 ' HD2' HD13 ' A' ' 16' ' ' ILE . 33.3 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 120.801 0.251 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.719 ' CD2' HD23 ' A' ' 24' ' ' LEU . 78.9 m-85 -117.0 86.75 20.43 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.69 0.757 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.77 67.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.386 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 34.7 t -73.94 161.37 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.42 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.0 tp10 -98.69 -38.12 9.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.75 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.2 mp -65.46 -72.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -93.97 -47.81 6.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.65 -27.38 3.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -37.6 121.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.141 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 mtt180 -86.25 164.54 17.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.53 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 31.1 m-85 -139.66 136.83 34.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 22.7 ptt180 -40.77 -42.39 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 4.9 m170 -122.88 166.38 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.719 HD23 ' CD2' ' A' ' 12' ' ' TYR . 3.0 tm? -82.23 -62.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' LEU . 26.4 pt20 -34.34 -42.21 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 62.6 m -65.81 -52.4 50.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.3 tp -46.84 -46.74 21.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HE2' HD11 ' A' ' 24' ' ' LEU . 30.3 mttm -50.58 -34.11 24.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -79.8 -21.86 43.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.53 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 7.7 t60 -73.07 -22.25 60.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.509 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.4 mt -72.81 -10.14 59.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -60.55 -44.53 96.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.0 pt -66.59 -26.47 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.75 ' CG ' HG21 ' A' ' 16' ' ' ILE . 37.9 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.149 0 CA-C-O 120.826 0.261 . . . . 0.0 112.355 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.668 ' CD2' HD23 ' A' ' 24' ' ' LEU . 85.4 m-85 -119.54 86.59 34.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.673 0.749 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 142.18 47.23 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.385 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 19.9 t -64.75 161.95 16.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.452 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.2 tt0 -99.22 -39.0 8.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.684 HD13 ' CD2' ' A' ' 34' ' ' HIS . 5.1 mp -66.7 -73.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.8 p -89.67 -47.92 7.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.442 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.22 -26.52 3.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.1 m -41.0 124.12 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 111.142 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.419 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 5.0 mtm-85 -85.14 171.19 12.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.451 ' CD1' HD13 ' A' ' 27' ' ' LEU . 32.8 m-85 -145.49 133.98 21.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 21' ' ' PHE . 11.6 ptm180 -34.82 -48.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -122.96 166.05 15.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.721 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.6 tm? -79.66 -62.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' LEU . 6.2 pt20 -33.51 -35.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 24' ' ' LEU . 60.2 m -73.87 -53.13 10.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.451 HD13 ' CD1' ' A' ' 21' ' ' PHE . 27.2 tp -46.3 -45.25 17.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 50.2 mttt -52.43 -36.41 54.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -75.71 -21.92 57.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.417 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.4 t60 -75.01 -30.33 61.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 31' ' ' LEU . 3.7 mt -65.62 -7.79 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -63.6 -43.61 96.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.0 pt -66.32 -30.52 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.684 ' CD2' HD13 ' A' ' 16' ' ' ILE . 45.8 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.794 0.247 . . . . 0.0 112.371 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.8 ' HD2' HD23 ' A' ' 24' ' ' LEU . 88.2 m-85 -119.1 86.41 31.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 151.59 69.14 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.639 2.226 . . . . 0.0 112.359 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.444 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 30.1 t -78.02 161.79 27.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.9 tp10 -99.69 -38.3 8.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.819 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -66.75 -72.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.6 p -91.57 -48.7 6.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.444 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.42 -22.71 3.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 m -41.23 125.15 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.323 . . . . 0.0 111.126 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -90.75 152.31 20.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 30' ' ' HIS . 39.0 m-85 -127.74 146.31 50.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 15.1 tpp85 -44.2 -55.93 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -114.94 168.62 9.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.8 HD23 ' HD2' ' A' ' 12' ' ' TYR . 1.9 tm? -79.1 -61.08 2.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' LEU . 11.9 pt20 -34.2 -36.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' LEU . 76.0 m -73.65 -49.33 26.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' LEU . 21.1 tp -48.35 -45.11 35.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 25.6 mttm -55.09 -28.51 53.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 32' ' ' ARG . 27.1 m -82.94 -19.62 36.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 8.1 t60 -76.97 -21.91 54.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.509 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.8 mt -75.63 -2.35 28.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -71.94 -28.72 63.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.7 pt -84.36 -13.2 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.819 ' CG ' HG21 ' A' ' 16' ' ' ILE . 47.5 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.808 0.253 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.746 ' HD2' HD23 ' A' ' 24' ' ' LEU . 85.0 m-85 -118.08 85.89 24.96 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.671 0.748 . . . . 0.0 110.869 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 151.88 69.35 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.742 2.295 . . . . 0.0 112.36 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 16.5 t -78.58 161.99 26.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.461 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.5 tt0 -100.63 -38.71 8.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.827 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -65.56 -72.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -91.68 -49.03 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.441 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.43 -21.09 3.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.44 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.0 m -42.55 131.97 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.0 mtt85 -96.28 146.13 24.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 41.7 m-85 -122.57 134.58 54.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' PHE . 13.9 ttt180 -36.67 -57.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -108.66 171.77 7.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.746 HD23 ' HD2' ' A' ' 12' ' ' TYR . 1.9 tm? -86.34 -62.08 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 24' ' ' LEU . 6.2 pt20 -36.16 -30.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' LEU . 83.4 m -78.88 -46.78 17.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 24' ' ' LEU . 17.5 tp -50.86 -43.28 59.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -56.53 -33.15 65.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.6 t -78.9 -17.99 54.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.568 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.7 t60 -77.39 -25.21 50.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.496 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -73.63 -0.15 14.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -26.93 62.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.5 pt -86.58 -14.93 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.827 ' CG ' HG21 ' A' ' 16' ' ' ILE . 45.3 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.768 0.237 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 80.4 m-85 -117.3 85.21 19.11 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.724 0.773 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.16 69.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.451 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 41.1 t -80.82 162.11 24.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.452 ' HG2' HD12 ' A' ' 16' ' ' ILE . 11.2 pt-20 -102.01 -36.33 8.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.825 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -68.62 -72.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -91.15 -48.38 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.97 -20.92 3.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.6 m -39.35 135.68 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.325 . . . . 0.0 111.147 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -101.37 142.63 32.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.531 ' CD1' HD13 ' A' ' 27' ' ' LEU . 43.7 m-85 -120.03 157.81 28.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 17.0 ptp180 -63.18 -47.31 83.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.413 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 4.6 m170 -122.35 156.09 34.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.574 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 4.4 tp -70.81 -52.92 17.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -41.88 -29.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 98.8 m -83.83 -44.77 13.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.531 HD13 ' CD1' ' A' ' 21' ' ' PHE . 17.7 tp -56.12 -41.88 75.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -56.75 -29.63 62.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 t -85.21 -14.68 46.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.515 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.1 t60 -78.58 -23.29 46.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.536 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.3 mt -73.24 -3.13 24.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -72.28 -28.59 63.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 pt -84.03 -11.68 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.825 ' CG ' HG21 ' A' ' 16' ' ' ILE . 43.5 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.415 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.838 0.266 . . . . 0.0 112.382 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 84.6 m-85 -118.12 85.15 23.55 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.711 0.767 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 136.79 33.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.649 2.233 . . . . 0.0 112.4 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 18.7 t -61.76 161.97 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.671 ' HG3' HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -100.79 -38.52 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.671 HD12 ' HG3' ' A' ' 15' ' ' GLU . 5.3 mp -66.3 -72.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.7 p -91.38 -48.94 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.451 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.1 -21.12 4.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 m -44.1 116.17 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.139 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -79.02 150.23 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.652 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 45.6 m-85 -125.33 133.21 52.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 21' ' ' PHE . 35.8 mmm-85 -36.92 -56.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -113.59 159.42 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.573 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 1.8 tp -74.65 -58.33 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -38.12 -27.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 24' ' ' LEU . 85.8 m -83.08 -44.51 15.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 21' ' ' PHE . 20.5 tp -53.58 -49.08 68.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -51.78 -30.46 23.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.7 t -84.03 -18.64 36.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.652 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.2 t60 -75.87 -24.03 55.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.528 HD22 ' CD1' ' A' ' 16' ' ' ILE . 2.4 mt -71.93 -2.47 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -73.41 -32.01 64.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 pt -80.5 -11.71 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.662 ' CG ' HG21 ' A' ' 16' ' ' ILE . 35.9 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.405 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.804 0.252 . . . . 0.0 112.321 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.816 ' HD2' HD23 ' A' ' 24' ' ' LEU . 87.7 m-85 -119.55 85.25 31.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.751 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 146.76 61.5 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' THR . 28.6 t -70.28 161.98 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.442 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.6 tp10 -100.48 -38.12 8.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.689 HD13 ' HD2' ' A' ' 34' ' ' HIS . 5.1 mp -67.85 -73.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.0 p -88.58 -48.92 7.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.442 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.72 -20.18 4.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' CYS . 22.6 m -42.34 136.99 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 111.138 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -101.02 149.39 23.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.532 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 43.6 m-85 -126.06 143.46 51.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 13.8 ptp180 -47.13 -42.67 19.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 3.6 m-70 -122.91 165.01 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.816 HD23 ' HD2' ' A' ' 12' ' ' TYR . 1.6 tm? -79.15 -64.39 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' LEU . 18.0 pt20 -34.79 -41.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.1 m -67.2 -45.08 77.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' LEU . 16.3 tp -55.83 -48.3 75.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 58.5 mttt -51.23 -29.58 14.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 t -82.87 -21.51 34.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.532 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.2 t60 -73.89 -19.37 60.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.52 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.2 mt -72.79 -4.53 32.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -69.41 -41.36 76.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.2 pt -70.6 -11.21 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.689 ' HD2' HD13 ' A' ' 16' ' ' ILE . 28.1 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.419 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.787 0.245 . . . . 0.0 112.343 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.715 ' CD2' HD13 ' A' ' 24' ' ' LEU . 81.8 m-85 -117.6 85.69 21.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.652 0.739 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 137.09 34.64 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 12.3 t -64.93 162.15 17.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.475 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 6.4 pt-20 -102.98 -38.3 7.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.759 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -64.22 -71.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -93.78 -47.74 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.444 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.44 -27.46 3.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.419 HG22 ' CE1' ' A' ' 21' ' ' PHE . 17.1 m -41.44 122.82 2.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 111.15 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.453 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 13.5 mtm180 -83.92 170.99 13.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.631 ' CD1' HD13 ' A' ' 27' ' ' LEU . 33.4 m-85 -146.21 135.9 23.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -39.59 -55.65 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -118.18 155.89 29.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.715 HD13 ' CD2' ' A' ' 12' ' ' TYR . 14.2 tp -69.34 -53.48 19.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -40.21 -26.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' LEU . 61.5 m -86.67 -41.96 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.631 HD13 ' CD1' ' A' ' 21' ' ' PHE . 20.5 tp -58.46 -47.6 83.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -52.73 -33.34 47.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 t -80.67 -18.95 46.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.575 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 4.8 t60 -76.01 -33.71 59.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.508 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.8 mt -63.0 -7.43 5.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -42.22 99.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.7 pt -71.05 -20.64 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.759 ' CG ' HG21 ' A' ' 16' ' ' ILE . 30.9 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.401 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.828 0.262 . . . . 0.0 112.352 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 80.7 m-85 -118.33 85.6 25.7 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.741 0.781 . . . . 0.0 110.944 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.84 52.22 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 12.7 t -69.75 162.09 28.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.4 tt0 -102.55 -38.4 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.819 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -66.03 -71.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.8 p -90.41 -48.18 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.43 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.01 -20.35 4.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.434 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 17.5 m -44.69 135.35 5.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.805 0.336 . . . . 0.0 111.134 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -98.35 146.12 26.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.611 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 32.2 m-85 -122.38 141.23 51.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.3 tpp85 -42.58 -53.72 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -118.88 161.42 20.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.579 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 5.4 tp -74.11 -56.66 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.427 ' HA ' ' NZ ' ' A' ' 28' ' ' LYS . 10.7 pt20 -37.34 -34.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.3 m -79.47 -42.49 25.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.515 HD13 ' CD1' ' A' ' 21' ' ' PHE . 22.9 tp -56.48 -50.81 70.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 25' ' ' GLN . 8.4 mtmp? -48.44 -32.87 8.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.1 t -79.78 -24.45 41.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.611 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.6 t60 -70.54 -23.62 62.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.53 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.0 mt -71.69 -3.24 20.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.407 ' NH1' ' O ' ' A' ' 28' ' ' LYS . 7.8 mpt_? -69.74 -37.73 76.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.7 pt -75.77 -12.88 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.819 ' CG ' HG21 ' A' ' 16' ' ' ILE . 40.2 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.77 0.237 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 83.2 m-85 -118.28 82.88 19.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.678 0.751 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.82 58.57 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 10.0 t -72.06 160.83 31.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 11.6 pt-20 -98.86 -39.65 8.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.857 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -63.93 -73.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.0 p -91.66 -48.54 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.45 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 135.14 -17.98 4.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.414 ' N ' ' HB3' ' A' ' 14' ' ' CYS . 96.3 m -44.01 131.0 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 111.124 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -96.79 155.48 16.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.535 ' CD1' HD13 ' A' ' 27' ' ' LEU . 20.8 m-85 -134.39 142.01 47.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -42.11 -50.12 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -118.98 172.86 7.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 1.7 tp -87.29 -54.19 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -42.13 -28.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 97.3 m -82.62 -45.37 14.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.535 HD13 ' CD1' ' A' ' 21' ' ' PHE . 20.7 tp -55.53 -44.33 76.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -52.99 -27.41 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.3 m -83.48 -21.19 32.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 4.3 t60 -75.09 -20.78 59.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.555 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -75.88 -3.02 32.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -70.13 -28.63 65.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 pt -82.72 -20.48 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.857 ' CG ' HG21 ' A' ' 16' ' ' ILE . 54.6 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.773 0.239 . . . . 0.0 112.314 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.586 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 86.8 m-85 -118.59 84.94 25.61 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.674 0.749 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.54 54.23 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.728 2.285 . . . . 0.0 112.354 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 15.1 t -69.96 162.07 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.465 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.3 tt0 -101.47 -38.49 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.619 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.2 mp -66.62 -72.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -89.66 -48.99 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.55 -20.43 4.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -43.98 133.38 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 0.0 111.185 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -96.62 147.67 23.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 49.3 m-85 -123.32 136.87 54.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -38.65 -49.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -123.21 162.3 22.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.586 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 8.2 tp -74.07 -57.31 4.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.0 pt20 -37.17 -33.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' LEU . 61.7 m -79.96 -41.66 25.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 24' ' ' LEU . 22.5 tp -57.61 -48.38 79.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -51.85 -31.61 28.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -82.53 -18.25 42.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.618 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.0 t60 -76.8 -26.56 54.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.512 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.8 mt -68.39 -3.91 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -72.38 -38.85 68.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.3 pt -72.96 -11.44 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.607 ' CD2' HD13 ' A' ' 16' ' ' ILE . 29.6 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.188 0 CA-C-O 120.768 0.237 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 77.2 m-85 -116.94 85.66 18.14 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.688 0.756 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 20' ' ' ARG . 54.0 Cg_endo -69.74 151.38 69.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 6.4 t -81.16 160.59 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.3 tp10 -98.24 -40.26 8.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.847 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -62.63 -73.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.9 p -93.5 -49.4 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.458 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 135.86 -19.23 3.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.43 HG22 ' CE1' ' A' ' 21' ' ' PHE . 18.4 m -45.83 125.11 5.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.782 0.325 . . . . 0.0 111.096 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 35.7 mtm180 -85.12 169.64 13.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 50.8 m-85 -147.0 136.6 22.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -41.93 -54.45 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -113.41 160.6 18.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.741 HD11 ' HE2' ' A' ' 28' ' ' LYS . 3.2 tm? -75.81 -60.65 2.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' LEU . 7.5 pt20 -36.66 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 24' ' ' LEU . 93.2 m -77.94 -49.04 14.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.429 HD13 ' CD1' ' A' ' 21' ' ' PHE . 16.8 tp -51.7 -40.17 59.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.741 ' HE2' HD11 ' A' ' 24' ' ' LEU . 40.6 mttm -58.25 -30.1 66.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -84.24 -14.99 48.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.568 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.9 t60 -78.94 -21.68 46.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.579 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.8 mt -73.46 -5.0 37.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.56 -35.51 79.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.5 pt -77.76 -12.75 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.847 ' CG ' HG21 ' A' ' 16' ' ' ILE . 36.7 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.406 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.804 0.252 . . . . 0.0 112.365 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.406 ' CD1' ' HG2' ' A' ' 11' ' ' PRO . 81.1 m-85 -116.94 84.23 15.76 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.637 0.732 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 151.41 68.73 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.341 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.46 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 43.0 t -82.04 162.46 22.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.405 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.5 tp10 -100.68 -36.34 9.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.75 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -68.59 -73.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.1 p -93.1 -49.09 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.46 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 135.57 -23.85 3.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 37.9 m -38.48 114.63 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 0.0 111.135 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -80.45 160.83 25.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.639 ' CD1' HD13 ' A' ' 27' ' ' LEU . 43.4 m-85 -135.86 166.21 23.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 8.8 ptp180 -75.84 -40.55 54.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 4.0 m170 -123.5 161.14 25.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.699 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.1 tm? -75.95 -62.67 1.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' LEU . 6.2 pt20 -38.41 -30.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' LEU . 72.5 m -77.13 -52.39 9.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.639 HD13 ' CD1' ' A' ' 21' ' ' PHE . 14.9 tp -54.06 -43.1 69.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' CE ' HD11 ' A' ' 24' ' ' LEU . 29.4 mttm -53.06 -33.39 51.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -80.34 -23.33 40.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.484 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 3.8 t60 -69.48 -20.17 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.5 mt -73.45 -9.47 58.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -44.36 95.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.9 pt -67.41 -17.88 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.75 ' CG ' HG21 ' A' ' 16' ' ' ILE . 29.5 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.797 0.249 . . . . 0.0 112.336 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 85.6 m-85 -118.26 85.64 25.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.662 0.744 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 147.14 62.32 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.384 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 11.8 t -75.08 161.91 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.475 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 2.0 mm-40 -100.97 -39.43 7.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.818 HD13 ' CD2' ' A' ' 34' ' ' HIS . 4.1 mp -66.13 -72.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.3 p -89.47 -45.76 9.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.435 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 127.56 -22.69 5.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -45.59 128.76 8.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 111.127 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -89.81 156.82 18.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.607 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 18.1 m-85 -130.9 136.5 48.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 21' ' ' PHE . 53.9 ttt180 -37.59 -53.81 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -120.42 157.66 28.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.574 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 6.2 tp -70.31 -57.04 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' LEU . 4.7 pt20 -37.31 -31.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' LEU . 87.2 m -81.34 -42.78 20.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.539 HD13 ' CD1' ' A' ' 21' ' ' PHE . 28.9 tp -56.54 -44.79 81.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -53.74 -32.56 52.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 m -80.95 -19.53 43.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.607 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.9 t60 -76.51 -28.15 56.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.589 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.0 mt -71.3 -5.16 30.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -35.48 79.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.5 pt -76.01 -28.76 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.818 ' CD2' HD13 ' A' ' 16' ' ' ILE . 48.8 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.2 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.764 0.235 . . . . 0.0 112.347 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.568 ' CD2' ' HB2' ' A' ' 24' ' ' LEU . 86.4 m-85 -118.68 84.56 25.07 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.65 0.738 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 133.53 25.87 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.454 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 34.6 t -57.32 162.07 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.434 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.1 tt0 -101.85 -37.15 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.618 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -67.14 -72.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -91.62 -47.76 7.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.454 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.87 -27.19 3.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.431 HG22 ' CE1' ' A' ' 21' ' ' PHE . 24.1 m -37.96 123.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.8 0.333 . . . . 0.0 111.161 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.401 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 17.5 mtp180 -85.87 165.41 16.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.56 ' CD1' HD13 ' A' ' 27' ' ' LEU . 30.1 m-85 -142.6 129.64 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' HD2' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -36.6 -38.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.488 ' N ' ' HD2' ' A' ' 22' ' ' ARG . 10.9 m170 -129.3 169.91 14.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.568 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 5.0 tp -87.38 -57.79 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.47 ' CD ' ' N ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -36.3 -39.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.47 ' N ' ' CD ' ' A' ' 25' ' ' GLN . 42.2 m -74.31 -41.12 61.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.56 HD13 ' CD1' ' A' ' 21' ' ' PHE . 21.2 tp -60.33 -54.2 48.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -42.92 -34.71 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' CD ' ' A' ' 32' ' ' ARG . 44.6 t -79.4 -29.99 42.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.502 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.3 t60 -63.02 -24.02 67.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.516 ' N ' HD23 ' A' ' 31' ' ' LEU . 3.0 mt -68.71 -5.33 19.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.416 ' CD ' ' O ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -67.04 -47.58 70.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.0 pt -62.78 -22.47 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.618 ' CG ' HG21 ' A' ' 16' ' ' ILE . 41.6 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.4 m -87.95 161.69 17.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.9 p -114.38 137.82 51.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.86 -155.11 25.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 t -47.92 160.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.914 0.387 . . . . 0.0 110.827 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -114.88 -50.01 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.64 60.99 1.25 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.51 -80.58 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.465 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -135.2 120.71 19.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 10.5 mtpp 69.2 54.86 0.53 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.589 0.709 . . . . 0.0 110.888 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 53.6 Cg_endo -69.77 3.09 2.98 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.797 ' CD2' HD23 ' A' ' 24' ' ' LEU . 84.0 m-85 -117.68 86.55 24.1 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.688 0.756 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 140.64 42.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.642 2.228 . . . . 0.0 112.326 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.466 ' HA ' HD21 ' A' ' 27' ' ' LEU . 32.7 t -64.27 161.42 16.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.428 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 10.9 tp10 -99.48 -37.98 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.753 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -66.69 -72.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -91.89 -47.71 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.68 -26.86 3.59 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.474 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.426 HG22 ' CE1' ' A' ' 21' ' ' PHE . 5.6 m -41.27 118.53 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.814 0.34 . . . . 0.0 111.164 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.453 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 14.1 mtt85 -79.29 170.18 17.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.564 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 39.1 m-85 -143.8 130.95 20.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 21' ' ' PHE . 40.5 mmm-85 -34.47 -47.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -118.97 162.44 18.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.797 HD23 ' CD2' ' A' ' 12' ' ' TYR . 3.4 tm? -76.95 -63.83 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 24' ' ' LEU . 11.5 pt20 -34.78 -36.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' LEU . 60.9 m -68.02 -51.39 47.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.466 HD21 ' HA ' ' A' ' 14' ' ' CYS . 22.6 tp -49.57 -49.64 45.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.578 ' HE2' HD11 ' A' ' 24' ' ' LEU . 29.9 mttm -46.73 -36.6 7.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.484 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 12.9 m -78.79 -23.56 45.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.564 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 13.3 t60 -72.47 -15.41 61.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.439 HD22 ' CD1' ' A' ' 16' ' ' ILE . 2.6 mt -78.58 -10.75 59.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.484 ' NE ' ' HA ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -62.99 -41.97 99.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.6 pt -69.02 -26.35 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.753 ' CG ' HG21 ' A' ' 16' ' ' ILE . 47.8 m-70 -72.9 -53.72 10.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.1 t -103.59 130.85 51.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.158 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 155.06 78.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 m -96.7 103.51 15.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.964 0.411 . . . . 0.0 110.83 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.48 -158.13 21.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.526 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -10.3 28.22 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.722 2.282 . . . . 0.0 112.332 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.4 p -80.75 126.36 31.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 t 65.64 42.12 3.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.858 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.521 179.996 . . . . . . . . 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 -0.285 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.9 p -67.63 170.21 8.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.833 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -140.0 123.1 16.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.54 -115.18 3.79 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 m 56.6 41.75 28.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.824 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 t -134.9 130.36 35.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.48 104.09 0.17 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -138.85 109.99 0.69 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 48.4 mt-10 -47.43 132.65 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.949 0.404 . . . . 0.0 110.876 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.07 71.47 0.29 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.554 0.692 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 9' ' ' GLU . 54.1 Cg_endo -69.73 3.12 2.94 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.359 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 85.6 m-85 -118.35 85.68 26.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.723 0.773 . . . . 0.0 110.942 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.82 63.67 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.723 2.282 . . . . 0.0 112.319 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 19' ' ' THR . 18.5 t -73.44 162.07 29.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 16.5 pt-20 -101.8 -38.21 7.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.831 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.828 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -66.38 -71.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.1 p -90.51 -47.52 7.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.428 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.75 -20.57 4.32 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' CYS . 11.2 m -43.48 139.08 2.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.103 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -103.07 146.83 27.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.566 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 46.0 m-85 -123.16 139.84 53.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.4 ttt-85 -40.16 -50.63 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -121.7 162.74 20.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.578 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 5.8 tp -74.45 -55.08 6.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -39.07 -32.63 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.1 m -80.11 -42.14 24.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.506 HD13 ' CD1' ' A' ' 21' ' ' PHE . 10.9 tp -58.81 -49.28 78.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.2 mttm -51.18 -27.93 9.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.7 t -86.69 -20.2 28.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.566 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 7.7 t60 -73.7 -18.33 61.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.542 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -76.48 -2.62 33.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -31.21 69.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 16.8 pt -82.08 -16.52 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.828 ' CG ' HG21 ' A' ' 16' ' ' ILE . 51.1 m-70 -82.89 -47.68 11.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 35' ' ' THR . 12.3 t -112.71 119.65 38.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.147 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -146.25 164.51 28.32 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -114.87 90.94 3.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.943 0.401 . . . . 0.0 110.834 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.14 160.62 26.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.454 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 106.32 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 32.6 t -105.48 124.56 49.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.885 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 t -50.07 99.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.508 179.995 . . . . . . . . 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 1.451 -0.359 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 p -140.13 118.36 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.927 0.394 . . . . 0.0 110.869 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -62.42 -59.79 4.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.898 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 85.01 83.71 1.02 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 4' ' ' GLY . 22.9 t -36.47 149.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.892 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.7 m -111.26 -49.81 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.76 119.86 2.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.512 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' O ' ' CE ' ' A' ' 10' ' ' LYS . . . 112.62 121.81 3.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' CB ' ' HD3' ' A' ' 11' ' ' PRO . 43.0 mm-40 -59.72 -45.28 92.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.954 0.407 . . . . 0.0 110.88 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' HG2' ' N ' ' A' ' 22' ' ' ARG . 31.1 mtmt 37.9 52.26 2.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 53.7 Cg_endo -69.72 3.12 2.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.735 ' CD2' HD23 ' A' ' 24' ' ' LEU . 78.4 m-85 -116.61 86.98 19.64 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.732 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 145.65 57.8 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.715 2.277 . . . . 0.0 112.325 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 20.4 t -69.5 161.92 28.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.452 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.4 tp10 -99.94 -38.73 8.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.744 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -64.73 -71.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.5 p -94.03 -48.22 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.48 -25.13 3.47 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.5 m -40.77 121.89 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.323 . . . . 0.0 111.147 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.471 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 13.6 mtt180 -84.39 165.75 17.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.553 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 38.3 m-85 -140.71 134.17 29.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.482 ' N ' ' HG2' ' A' ' 10' ' ' LYS . 17.6 ptt-85 -38.38 -44.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.476 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 7.9 m170 -120.48 162.93 18.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.735 HD23 ' CD2' ' A' ' 12' ' ' TYR . 3.0 tm? -78.91 -62.46 1.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 24' ' ' LEU . 1.6 pp0? -34.93 -45.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.4 m -60.39 -52.54 64.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.191 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.431 HD13 ' CD1' ' A' ' 21' ' ' PHE . 23.0 tp -49.48 -50.58 40.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 45.9 mttt -44.56 -34.96 2.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.5 ' O ' ' CD ' ' A' ' 32' ' ' ARG . 3.5 m -80.42 -33.24 37.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.553 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 8.1 t60 -57.83 -21.9 44.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.505 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.7 mt -71.31 -9.7 58.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 29' ' ' SER . 0.2 OUTLIER -60.61 -47.29 86.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.0 pt -65.45 -19.82 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.744 ' CG ' HG21 ' A' ' 16' ' ' ILE . 32.1 m-70 -80.27 -56.05 4.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.5 t -95.2 130.81 41.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.85 -63.54 0.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.1 m -78.37 166.14 23.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.93 0.395 . . . . 0.0 110.865 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.2 153.66 48.15 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 1.99 3.98 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.4 m 63.63 44.68 5.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.5 t 40.64 43.88 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.532 179.993 . . . . . . . . 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 -0.342 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -101.84 132.11 47.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 4' ' ' GLY . 6.7 t -59.66 173.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.854 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -36.03 152.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.497 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.2 t -156.61 144.11 19.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.391 . . . . 0.0 110.829 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 p -124.82 161.63 26.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.83 83.09 0.95 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 125.54 86.39 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.451 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 0.4 OUTLIER -65.6 148.75 51.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.932 0.396 . . . . 0.0 110.904 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 20.3 mttp -106.58 71.67 0.27 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.927 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.451 ' HD3' ' C ' ' A' ' 9' ' ' GLU . 54.1 Cg_endo -69.71 3.37 2.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.688 ' CD2' HD23 ' A' ' 24' ' ' LEU . 87.4 m-85 -118.74 85.7 28.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.66 0.743 . . . . 0.0 110.911 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.26 66.63 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.65 2.233 . . . . 0.0 112.326 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 15.9 t -75.41 162.07 28.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.461 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.4 tp10 -100.41 -38.92 8.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.635 HD13 ' HD2' ' A' ' 34' ' ' HIS . 5.2 mp -66.48 -72.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.6 p -89.91 -48.4 7.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.75 -24.56 3.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -41.71 130.34 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 111.143 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.481 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 11.4 mtt180 -93.27 159.46 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.603 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 45.0 m-85 -133.34 144.13 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.841 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' N ' ' HG2' ' A' ' 10' ' ' LYS . 20.1 ptt180 -46.5 -54.36 9.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -112.32 164.34 13.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.688 HD23 ' CD2' ' A' ' 12' ' ' TYR . 3.2 tm? -77.9 -62.13 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 24' ' ' LEU . 11.4 pt20 -34.24 -37.59 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' LEU . 85.0 m -71.73 -49.15 41.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' LEU . 15.8 tp -48.91 -46.07 42.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 35.3 mttm -55.84 -29.32 59.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 32' ' ' ARG . 50.1 m -84.63 -15.94 43.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.603 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 8.0 t60 -76.86 -23.91 52.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.541 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -72.59 -1.91 17.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.453 ' CZ ' ' HA ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -72.47 -38.88 68.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.0 pt -73.19 -15.87 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.181 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.635 ' HD2' HD13 ' A' ' 16' ' ' ILE . 30.6 m-70 -80.96 -43.53 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 t -115.15 130.51 56.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -160.72 157.68 29.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.494 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.3 p -86.34 107.04 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 110.837 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 111.56 -96.59 0.88 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.455 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 136.07 31.98 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.698 2.266 . . . . 0.0 112.351 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.7 t -117.76 -60.77 1.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.7 p -75.22 118.91 18.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.819 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.406 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.498 179.986 . . . . . . . . 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 -0.332 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -106.48 93.53 4.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.89 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.0 m -160.61 150.34 17.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.77 128.94 2.68 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -102.2 42.78 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.875 0.369 . . . . 0.0 110.834 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -120.57 105.81 11.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.79 149.1 10.13 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.16 -176.5 33.86 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.442 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 5.1 pt-20 -162.57 134.33 5.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.896 0.379 . . . . 0.0 110.884 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' HB3' ' N ' ' A' ' 21' ' ' PHE . 3.1 mtmp? -106.84 72.48 0.31 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.593 0.711 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.429 ' HD3' ' C ' ' A' ' 9' ' ' GLU . 53.6 Cg_endo -69.79 3.62 2.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.272 . . . . 0.0 112.328 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 86.1 m-85 -118.63 84.44 24.54 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.701 0.762 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 141.94 46.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.327 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 14.6 t -67.21 162.08 23.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.466 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 6.0 tt0 -101.47 -38.61 7.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.731 HD13 ' HD2' ' A' ' 34' ' ' HIS . 5.2 mp -66.22 -72.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.6 p -90.27 -48.77 6.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.44 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.6 -21.12 4.05 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 22.7 m -43.54 130.93 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.159 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 18.0 mtt180 -94.08 151.32 19.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.593 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 45.2 m-85 -127.65 137.72 52.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -40.0 -51.99 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -120.69 158.89 26.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.583 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 7.8 tp -71.99 -56.3 5.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -37.59 -29.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 24' ' ' LEU . 38.1 m -83.87 -44.39 14.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.533 HD13 ' CD1' ' A' ' 21' ' ' PHE . 19.1 tp -54.6 -47.96 72.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -53.05 -29.46 30.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 m -84.97 -17.07 38.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.593 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.2 t60 -77.6 -23.97 49.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.541 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.6 mt -71.01 -3.52 20.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.21 -32.81 70.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.3 pt -80.07 -10.98 12.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.731 ' HD2' HD13 ' A' ' 16' ' ' ILE . 33.3 m-70 -87.03 -38.62 16.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t -115.31 119.2 35.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.44 -57.23 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.7 m -52.2 -51.57 57.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.874 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.33 149.79 21.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.508 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -19.86 35.54 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.725 2.284 . . . . 0.0 112.34 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 t -92.48 142.19 27.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.8 p -95.08 42.14 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.495 179.973 . . . . . . . . 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 -0.305 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 m -110.61 170.23 8.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.841 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -57.52 -43.61 84.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.9 123.89 6.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.448 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -71.19 -58.86 3.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 110.829 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 t -144.9 152.75 40.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.82 -169.92 13.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.443 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.17 -68.29 3.36 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -61.13 138.33 58.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.96 0.409 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 22' ' ' ARG . 14.4 mttp 60.14 54.97 4.12 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.568 0.699 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.429 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 53.8 Cg_endo -69.75 3.38 2.8 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.685 2.256 . . . . 0.0 112.34 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.719 ' CD2' HD23 ' A' ' 24' ' ' LEU . 78.9 m-85 -117.0 86.75 20.43 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.69 0.757 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.77 67.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.386 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 34.7 t -73.94 161.37 30.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.0 tp10 -98.69 -38.12 9.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.75 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.2 mp -65.46 -72.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -93.97 -47.81 6.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.443 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.65 -27.38 3.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.3 m -37.6 121.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.141 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.475 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 24.8 mtt180 -86.25 164.54 17.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.53 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 31.1 m-85 -139.66 136.83 34.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.483 ' N ' ' HG2' ' A' ' 10' ' ' LYS . 22.7 ptt180 -40.77 -42.39 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 4.9 m170 -122.88 166.38 15.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.719 HD23 ' CD2' ' A' ' 12' ' ' TYR . 3.0 tm? -82.23 -62.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' LEU . 26.4 pt20 -34.34 -42.21 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 62.6 m -65.81 -52.4 50.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.3 tp -46.84 -46.74 21.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.515 ' HE2' HD11 ' A' ' 24' ' ' LEU . 30.3 mttm -50.58 -34.11 24.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.6 m -79.8 -21.86 43.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.53 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 7.7 t60 -73.07 -22.25 60.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.509 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.4 mt -72.81 -10.14 59.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -60.55 -44.53 96.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.0 pt -66.59 -26.47 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.75 ' CG ' HG21 ' A' ' 16' ' ' ILE . 37.9 m-70 -73.12 -44.38 60.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 11.7 t -110.89 38.28 2.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -114.13 -114.39 3.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.512 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.1 p -57.73 130.82 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.887 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.07 152.39 32.78 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 2.51 3.49 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 98.6 p -80.84 44.13 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.0 p -166.42 110.6 0.78 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.508 179.987 . . . . . . . . 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 -0.338 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -144.55 129.14 18.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.841 0.353 . . . . 0.0 110.88 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.1 t -66.11 80.2 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.48 106.73 0.3 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.515 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -75.55 -56.31 4.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.835 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 t -129.7 83.78 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.15 -150.79 37.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 178.64 72.48 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -147.86 119.37 7.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.489 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 29.4 mttp 60.42 55.04 3.87 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.556 0.693 . . . . 0.0 110.861 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.7 Cg_endo -69.78 3.96 2.47 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.668 ' CD2' HD23 ' A' ' 24' ' ' LEU . 85.4 m-85 -119.54 86.59 34.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.673 0.749 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 142.18 47.23 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.385 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 19.9 t -64.75 161.95 16.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.452 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.2 tt0 -99.22 -39.0 8.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.684 HD13 ' CD2' ' A' ' 34' ' ' HIS . 5.1 mp -66.7 -73.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.8 p -89.67 -47.92 7.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.442 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 132.22 -26.52 3.72 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.1 m -41.0 124.12 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 111.142 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.489 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 5.0 mtm-85 -85.14 171.19 12.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.451 ' CD1' HD13 ' A' ' 27' ' ' LEU . 32.8 m-85 -145.49 133.98 21.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 21' ' ' PHE . 11.6 ptm180 -34.82 -48.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -122.96 166.05 15.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.721 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.6 tm? -79.66 -62.59 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' LEU . 6.2 pt20 -33.51 -35.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 24' ' ' LEU . 60.2 m -73.87 -53.13 10.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.451 HD13 ' CD1' ' A' ' 21' ' ' PHE . 27.2 tp -46.3 -45.25 17.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 50.2 mttt -52.43 -36.41 54.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.4 m -75.71 -21.92 57.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.417 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.4 t60 -75.01 -30.33 61.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 31' ' ' LEU . 3.7 mt -65.62 -7.79 16.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -63.6 -43.61 96.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.0 pt -66.32 -30.52 50.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.684 ' CD2' HD13 ' A' ' 16' ' ' ILE . 45.8 m-70 -67.95 -55.22 13.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 35' ' ' THR . 13.4 t -98.5 126.37 44.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.67 -41.53 1.65 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.3 p -143.47 171.38 14.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.884 0.373 . . . . 0.0 110.889 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.77 -152.79 17.63 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.71 3.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.8 p -81.22 42.83 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.3 m -47.05 113.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.081 -0.844 . . . . 0.0 112.424 -179.966 . . . . . . . . 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 -0.301 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 p -121.16 94.61 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 p -162.24 117.9 1.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.43 145.47 17.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.443 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 p -160.81 131.99 5.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.399 . . . . 0.0 110.822 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.2 p -158.12 120.71 3.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.54 -100.0 0.27 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -151.02 -157.44 7.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.48 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -124.88 148.75 48.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 1.9 mptp? -109.38 73.63 0.61 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.546 0.689 . . . . 0.0 110.859 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.432 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.8 Cg_endo -69.77 3.05 3.0 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.659 2.239 . . . . 0.0 112.371 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.8 ' HD2' HD23 ' A' ' 24' ' ' LEU . 88.2 m-85 -119.1 86.41 31.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.939 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 151.59 69.14 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.639 2.226 . . . . 0.0 112.359 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.444 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 30.1 t -78.02 161.79 27.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.9 tp10 -99.69 -38.3 8.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.819 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -66.75 -72.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.6 p -91.57 -48.7 6.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.444 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.42 -22.71 3.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.498 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 m -41.23 125.15 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.323 . . . . 0.0 111.126 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.483 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 5.0 mtt-85 -90.75 152.31 20.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.508 ' CZ ' ' HB2' ' A' ' 30' ' ' HIS . 39.0 m-85 -127.74 146.31 50.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 15.1 tpp85 -44.2 -55.93 4.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -114.94 168.62 9.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.8 HD23 ' HD2' ' A' ' 12' ' ' TYR . 1.9 tm? -79.1 -61.08 2.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' LEU . 11.9 pt20 -34.2 -36.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' LEU . 76.0 m -73.65 -49.33 26.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' LEU . 21.1 tp -48.35 -45.11 35.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 25.6 mttm -55.09 -28.51 53.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.47 ' HA ' ' CZ ' ' A' ' 32' ' ' ARG . 27.1 m -82.94 -19.62 36.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 8.1 t60 -76.97 -21.91 54.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.509 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.8 mt -75.63 -2.35 28.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -71.94 -28.72 63.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.7 pt -84.36 -13.2 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.819 ' CG ' HG21 ' A' ' 16' ' ' ILE . 47.5 m-70 -85.41 -47.91 9.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.2 t -108.24 133.64 52.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.83 152.36 15.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.489 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.1 t -81.51 -46.6 14.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.853 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.07 -157.37 20.56 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 142.6 48.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.635 2.223 . . . . 0.0 112.325 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 41' ' ' SER . 77.6 p -60.32 98.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 40' ' ' SER . 19.4 m -37.21 152.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.525 -179.958 . . . . . . . . 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 -0.336 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -113.14 141.56 46.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.3 p -162.9 164.85 25.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.817 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.52 53.71 0.76 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -116.76 43.17 2.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.812 0.339 . . . . 0.0 110.837 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -51.73 150.54 3.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.81 121.83 4.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.59 -40.01 3.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.446 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -54.68 -176.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.923 0.392 . . . . 0.0 110.931 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER -108.35 79.72 1.02 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo -69.75 3.18 2.92 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.746 ' HD2' HD23 ' A' ' 24' ' ' LEU . 85.0 m-85 -118.08 85.89 24.96 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.671 0.748 . . . . 0.0 110.869 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 151.88 69.35 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.742 2.295 . . . . 0.0 112.36 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 16.5 t -78.58 161.99 26.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.461 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.5 tt0 -100.63 -38.71 8.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.827 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -65.56 -72.46 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -91.68 -49.03 6.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.43 -21.09 3.87 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.44 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.0 m -42.55 131.97 3.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 0.0 111.128 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 22.0 mtt85 -96.28 146.13 24.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 41.7 m-85 -122.57 134.58 54.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 13.9 ttt180 -36.67 -57.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -108.66 171.77 7.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.746 HD23 ' HD2' ' A' ' 12' ' ' TYR . 1.9 tm? -86.34 -62.08 1.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 24' ' ' LEU . 6.2 pt20 -36.16 -30.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.498 ' N ' ' O ' ' A' ' 24' ' ' LEU . 83.4 m -78.88 -46.78 17.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 24' ' ' LEU . 17.5 tp -50.86 -43.28 59.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -56.53 -33.15 65.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.6 t -78.9 -17.99 54.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.811 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.568 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.7 t60 -77.39 -25.21 50.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.496 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -73.63 -0.15 14.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -26.93 62.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.5 pt -86.58 -14.93 10.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.827 ' CG ' HG21 ' A' ' 16' ' ' ILE . 45.3 m-70 -82.74 -44.6 15.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.471 HG22 ' O ' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -103.75 134.37 47.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.093 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.95 178.54 21.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.1 m 48.44 41.26 16.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.862 0.363 . . . . 0.0 110.808 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.23 143.99 10.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.508 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 90.79 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.334 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.9 p -107.31 136.03 47.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -96.2 95.03 7.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.509 ' C ' ' CG2' ' A' ' 16' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.494 179.998 . . . . . . . . 1 1 . 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 -0.341 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 p -78.95 133.58 36.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.361 . . . . 0.0 110.861 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m 38.03 42.62 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.886 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.45 -110.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.463 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t 50.99 43.59 28.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 0.0 110.862 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -117.0 152.17 35.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.815 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.89 54.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.469 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.58 125.81 2.99 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.525 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.456 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 33.8 mm-40 -122.36 144.84 48.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.892 0.377 . . . . 0.0 110.887 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' HB3' ' C ' ' A' ' 20' ' ' ARG . 34.5 mmtt -109.89 67.81 0.45 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.456 ' HD3' ' C ' ' A' ' 9' ' ' GLU . 54.1 Cg_endo -69.74 3.53 2.71 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 80.4 m-85 -117.3 85.21 19.11 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.724 0.773 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 153.16 69.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.714 2.276 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.451 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 41.1 t -80.82 162.11 24.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.452 ' HG2' HD12 ' A' ' 16' ' ' ILE . 11.2 pt-20 -102.01 -36.33 8.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.825 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -68.62 -72.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.108 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.4 p -91.15 -48.38 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.97 -20.92 3.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.6 m -39.35 135.68 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.325 . . . . 0.0 111.147 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' C ' ' HB3' ' A' ' 10' ' ' LYS . 27.3 mtp180 -101.37 142.63 32.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.531 ' CD1' HD13 ' A' ' 27' ' ' LEU . 43.7 m-85 -120.03 157.81 28.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 17.0 ptp180 -63.18 -47.31 83.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.824 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.413 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 4.6 m170 -122.35 156.09 34.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.574 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 4.4 tp -70.81 -52.92 17.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -41.88 -29.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 98.8 m -83.83 -44.77 13.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.531 HD13 ' CD1' ' A' ' 21' ' ' PHE . 17.7 tp -56.12 -41.88 75.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.9 mttt -56.75 -29.63 62.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 t -85.21 -14.68 46.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.515 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.1 t60 -78.58 -23.29 46.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.536 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.3 mt -73.24 -3.13 24.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -72.28 -28.59 63.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 pt -84.03 -11.68 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.825 ' CG ' HG21 ' A' ' 16' ' ' ILE . 43.5 m-70 -86.61 -34.25 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 31' ' ' LEU . 2.6 t -119.49 71.91 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -141.78 -72.97 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.454 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.3 t -167.5 117.46 0.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.928 0.394 . . . . 0.0 110.841 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.71 139.69 2.79 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 105.0 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.4 m -54.36 -49.54 69.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.4 t -113.97 147.32 38.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.512 179.969 . . . . . . . . 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 -0.356 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 p -75.86 90.29 2.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 0.0 110.824 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 t -42.38 -43.67 3.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.06 -56.15 0.22 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 m 52.58 41.56 31.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.894 0.378 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.6 p -141.22 160.07 40.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.82 133.94 11.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -132.14 130.89 6.05 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 17.3 mp0 -131.21 156.51 45.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.369 . . . . 0.0 110.909 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 22' ' ' ARG . 47.7 mttt -106.56 71.94 0.28 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.559 0.695 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.446 ' HD3' ' C ' ' A' ' 9' ' ' GLU . 54.2 Cg_endo -69.75 3.3 2.85 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.382 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 84.6 m-85 -118.12 85.15 23.55 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.711 0.767 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 136.79 33.98 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.649 2.233 . . . . 0.0 112.4 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.456 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 18.7 t -61.76 161.97 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.671 ' HG3' HD12 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -100.79 -38.52 8.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.671 HD12 ' HG3' ' A' ' 15' ' ' GLU . 5.3 mp -66.3 -72.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.7 p -91.38 -48.94 6.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.451 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.1 -21.12 4.17 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.474 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.2 m -44.1 116.17 0.96 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 0.0 111.139 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -79.02 150.23 31.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.652 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 45.6 m-85 -125.33 133.21 52.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.484 ' N ' ' HG2' ' A' ' 10' ' ' LYS . 35.8 mmm-85 -36.92 -56.07 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -113.59 159.42 19.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.573 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 1.8 tp -74.65 -58.33 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -38.12 -27.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 24' ' ' LEU . 85.8 m -83.08 -44.51 15.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 21' ' ' PHE . 20.5 tp -53.58 -49.08 68.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -51.78 -30.46 23.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.7 t -84.03 -18.64 36.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.652 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.2 t60 -75.87 -24.03 55.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.528 HD22 ' CD1' ' A' ' 16' ' ' ILE . 2.4 mt -71.93 -2.47 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.965 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -73.41 -32.01 64.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.2 pt -80.5 -11.71 12.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.662 ' CG ' HG21 ' A' ' 16' ' ' ILE . 35.9 m-70 -85.26 -48.12 9.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 35' ' ' THR . 14.9 t -113.97 118.55 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.87 86.19 1.71 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.2 t -126.3 -39.27 2.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 110.859 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.03 -160.54 10.14 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.5 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -5.29 15.88 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.252 . . . . 0.0 112.353 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.6 m -137.64 114.52 10.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.5 p -52.59 156.91 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.503 -179.956 . . . . . . . . 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 -0.342 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.1 p -125.14 146.88 49.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.1 p -58.09 136.66 57.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.22 -134.24 2.7 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 m -128.17 94.87 4.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -156.08 144.82 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.44 178.16 19.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.09 165.52 14.37 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.454 ' C ' ' HD3' ' A' ' 11' ' ' PRO . 65.5 mt-10 -64.24 152.94 39.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.937 0.399 . . . . 0.0 110.848 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 2.4 mptt -107.06 71.14 0.28 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.571 0.701 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.454 ' HD3' ' C ' ' A' ' 9' ' ' GLU . 54.1 Cg_endo -69.79 4.43 2.21 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.657 2.238 . . . . 0.0 112.321 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.816 ' HD2' HD23 ' A' ' 24' ' ' LEU . 87.7 m-85 -119.55 85.25 31.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.751 . . . . 0.0 110.892 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 146.76 61.5 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.348 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' THR . 28.6 t -70.28 161.98 29.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.442 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.6 tp10 -100.48 -38.12 8.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.689 HD13 ' HD2' ' A' ' 34' ' ' HIS . 5.1 mp -67.85 -73.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.0 p -88.58 -48.92 7.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.442 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.72 -20.18 4.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.499 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' CYS . 22.6 m -42.34 136.99 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 111.138 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.456 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 16.1 mtp85 -101.02 149.39 23.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.532 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 43.6 m-85 -126.06 143.46 51.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 13.8 ptp180 -47.13 -42.67 19.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 3.6 m-70 -122.91 165.01 17.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.816 HD23 ' HD2' ' A' ' 12' ' ' TYR . 1.6 tm? -79.15 -64.39 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' LEU . 18.0 pt20 -34.79 -41.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 86.1 m -67.2 -45.08 77.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 24' ' ' LEU . 16.3 tp -55.83 -48.3 75.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HD2' ' CD1' ' A' ' 24' ' ' LEU . 58.5 mttt -51.23 -29.58 14.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 t -82.87 -21.51 34.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.532 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.2 t60 -73.89 -19.37 60.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.52 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.2 mt -72.79 -4.53 32.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -69.41 -41.36 76.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.2 pt -70.6 -11.21 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.689 ' HD2' HD13 ' A' ' 16' ' ' ILE . 28.1 m-70 -86.84 -72.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.7 t -65.05 -38.8 92.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.179 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 56.03 74.72 0.3 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.6 m -115.9 -57.44 2.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.939 0.4 . . . . 0.0 110.856 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.37 -99.24 2.59 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 142.62 48.6 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.5 m 58.15 46.81 15.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 m -75.67 167.73 21.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.871 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.118 -0.824 . . . . 0.0 112.507 -179.973 . . . . . . . . 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 -0.358 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 m -111.95 -51.9 2.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.879 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 99.9 p -45.81 -46.3 15.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.48 163.9 1.2 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -101.67 95.2 6.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.36 . . . . 0.0 110.826 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -63.26 -58.32 7.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.818 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.95 -171.49 24.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 159.45 151.41 6.13 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.536 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -163.24 110.31 1.18 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.901 0.381 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 11' ' ' PRO . 1.0 OUTLIER 49.23 52.0 11.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.556 0.693 . . . . 0.0 110.921 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.476 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 53.7 Cg_endo -69.74 3.63 2.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.657 2.238 . . . . 0.0 112.343 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.715 ' CD2' HD13 ' A' ' 24' ' ' LEU . 81.8 m-85 -117.6 85.69 21.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.652 0.739 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 137.09 34.64 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 12.3 t -64.93 162.15 17.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 6.4 pt-20 -102.98 -38.3 7.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.759 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -64.22 -71.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -93.78 -47.74 6.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.444 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 134.44 -27.46 3.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.419 HG22 ' CE1' ' A' ' 21' ' ' PHE . 17.1 m -41.44 122.82 2.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 111.15 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.453 ' C ' ' CD1' ' A' ' 21' ' ' PHE . 13.5 mtm180 -83.92 170.99 13.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.631 ' CD1' HD13 ' A' ' 27' ' ' LEU . 33.4 m-85 -146.21 135.9 23.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -39.59 -55.65 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -118.18 155.89 29.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.715 HD13 ' CD2' ' A' ' 12' ' ' TYR . 14.2 tp -69.34 -53.48 19.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -40.21 -26.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' LEU . 61.5 m -86.67 -41.96 13.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.112 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.631 HD13 ' CD1' ' A' ' 21' ' ' PHE . 20.5 tp -58.46 -47.6 83.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -52.73 -33.34 47.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 t -80.67 -18.95 46.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.575 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 4.8 t60 -76.01 -33.71 59.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.508 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.8 mt -63.0 -7.43 5.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.73 -42.22 99.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.7 pt -71.05 -20.64 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.759 ' CG ' HG21 ' A' ' 16' ' ' ILE . 30.9 m-70 -77.22 -43.05 34.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 35' ' ' THR . 15.1 t -127.27 117.81 23.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.51 90.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.502 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.6 t -100.8 125.02 47.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.41 149.52 15.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 96.32 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.724 2.283 . . . . 0.0 112.324 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.0 m -97.02 -57.81 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -143.47 107.39 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.859 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.454 -179.982 . . . . . . . . 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 -0.313 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 m -145.71 111.96 5.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.856 0.36 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -124.66 116.39 22.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.94 66.13 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.527 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m -51.36 -61.1 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -57.87 -48.58 79.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.68 111.59 1.12 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.444 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -97.8 -113.24 3.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.4 mp0 -106.7 134.36 49.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.915 0.388 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -116.98 77.91 9.16 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.561 0.696 . . . . 0.0 110.961 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.401 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.9 Cg_endo -69.73 3.32 2.83 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 80.7 m-85 -118.33 85.6 25.7 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.741 0.781 . . . . 0.0 110.944 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 143.84 52.22 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 12.7 t -69.75 162.09 28.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.4 tt0 -102.55 -38.4 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.819 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -66.03 -71.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.8 p -90.41 -48.18 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.43 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.01 -20.35 4.28 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.434 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 17.5 m -44.69 135.35 5.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.805 0.336 . . . . 0.0 111.134 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -98.35 146.12 26.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.611 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 32.2 m-85 -122.38 141.23 51.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.476 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 9.3 tpp85 -42.58 -53.72 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.81 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -118.88 161.42 20.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.579 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 5.4 tp -74.11 -56.66 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.427 ' HA ' ' NZ ' ' A' ' 28' ' ' LYS . 10.7 pt20 -37.34 -34.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.3 m -79.47 -42.49 25.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.515 HD13 ' CD1' ' A' ' 21' ' ' PHE . 22.9 tp -56.48 -50.81 70.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 25' ' ' GLN . 8.4 mtmp? -48.44 -32.87 8.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.1 t -79.78 -24.45 41.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.611 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.6 t60 -70.54 -23.62 62.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.53 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.0 mt -71.69 -3.24 20.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.407 ' NH1' ' O ' ' A' ' 28' ' ' LYS . 7.8 mpt_? -69.74 -37.73 76.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 15.7 pt -75.77 -12.88 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.819 ' CG ' HG21 ' A' ' 16' ' ' ILE . 40.2 m-70 -86.12 -48.59 8.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.0 t -110.27 33.21 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.59 76.17 0.26 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 m -56.92 149.68 18.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 0.0 110.864 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.96 154.82 35.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.403 ' O ' ' N ' ' A' ' 41' ' ' SER . 54.4 Cg_endo -69.7 -5.38 16.03 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.7 2.267 . . . . 0.0 112.392 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -39.96 97.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 39' ' ' PRO . 43.9 t -138.95 152.69 47.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.494 -179.969 . . . . . . . . 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 1.451 -0.336 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -149.67 137.7 20.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -72.62 106.87 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.79 109.77 0.98 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 p -66.77 153.24 43.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 m -63.61 140.44 58.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.75 91.21 1.56 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.27 -131.91 7.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -153.11 167.9 27.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.399 . . . . 0.0 110.91 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 19.4 mttm -120.52 75.34 25.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.609 0.718 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 4.49 2.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 83.2 m-85 -118.28 82.88 19.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.678 0.751 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 145.82 58.57 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.712 2.275 . . . . 0.0 112.352 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 10.0 t -72.06 160.83 31.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 11.6 pt-20 -98.86 -39.65 8.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.857 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -63.93 -73.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.0 p -91.66 -48.54 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 135.14 -17.98 4.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.414 ' N ' ' HB3' ' A' ' 14' ' ' CYS . 96.3 m -44.01 131.0 5.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.761 0.315 . . . . 0.0 111.124 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.469 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 7.1 mtt180 -96.79 155.48 16.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.535 ' CD1' HD13 ' A' ' 27' ' ' LEU . 20.8 m-85 -134.39 142.01 47.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -42.11 -50.12 4.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -118.98 172.86 7.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 1.7 tp -87.29 -54.19 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -42.13 -28.68 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 97.3 m -82.62 -45.37 14.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.535 HD13 ' CD1' ' A' ' 21' ' ' PHE . 20.7 tp -55.53 -44.33 76.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -52.99 -27.41 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.3 m -83.48 -21.19 32.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.414 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 4.3 t60 -75.09 -20.78 59.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.555 ' N ' HD23 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -75.88 -3.02 32.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -70.13 -28.63 65.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 pt -82.72 -20.48 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.857 ' CG ' HG21 ' A' ' 16' ' ' ILE . 54.6 m-70 -78.5 -43.9 25.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 35' ' ' THR . 14.8 t -123.61 116.71 23.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.28 159.81 15.91 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.542 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 p -104.28 122.47 45.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.95 0.405 . . . . 0.0 110.855 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.16 -160.12 9.97 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 99.19 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 41' ' ' SER . 32.4 m -94.58 42.19 1.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 40' ' ' SER . 16.0 m -35.7 -44.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.499 -179.998 . . . . . . . . 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 1.45 -0.382 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.5 p -142.72 154.46 44.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.82 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.1 m -109.61 138.38 46.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.9 -165.14 30.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.534 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -162.88 106.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 7' ' ' GLY . 7.3 t -92.04 81.28 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.885 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 35.4 65.67 0.42 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.12 55.97 0.69 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.517 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -53.08 151.1 5.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.881 0.372 . . . . 0.0 110.937 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 3.4 mptt -110.19 73.88 0.78 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.592 0.71 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.5 Cg_endo -69.82 3.48 2.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.25 . . . . 0.0 112.314 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.586 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 86.8 m-85 -118.59 84.94 25.61 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.674 0.749 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.54 54.23 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.728 2.285 . . . . 0.0 112.354 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 15.1 t -69.96 162.07 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.465 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 4.3 tt0 -101.47 -38.49 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.619 ' H ' HD12 ' A' ' 16' ' ' ILE . 5.2 mp -66.62 -72.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.2 p -89.66 -48.99 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.55 -20.43 4.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -43.98 133.38 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 0.0 111.185 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 17.1 mtt180 -96.62 147.67 23.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 49.3 m-85 -123.32 136.87 54.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -38.65 -49.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -123.21 162.3 22.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.586 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 8.2 tp -74.07 -57.31 4.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' LEU . 3.0 pt20 -37.17 -33.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 24' ' ' LEU . 61.7 m -79.96 -41.66 25.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 24' ' ' LEU . 22.5 tp -57.61 -48.38 79.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 mttt -51.85 -31.61 28.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -82.53 -18.25 42.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.618 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.0 t60 -76.8 -26.56 54.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.923 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.512 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.8 mt -68.39 -3.91 12.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -72.38 -38.85 68.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.3 pt -72.96 -11.44 14.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.607 ' CD2' HD13 ' A' ' 16' ' ' ILE . 29.6 m-70 -85.65 -74.05 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.0 t -61.53 -38.48 87.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.55 -71.69 1.01 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.453 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 t -69.35 129.28 39.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.835 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.21 175.98 28.93 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 123.52 10.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.702 2.268 . . . . 0.0 112.357 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.9 p -124.31 147.62 48.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -166.04 114.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.492 -179.997 . . . . . . . . 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 1.451 -0.326 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 p -67.19 -43.59 81.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 t -101.06 -50.42 3.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.8 -158.04 28.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -157.88 130.71 7.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 t -133.55 149.8 51.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.33 -90.94 0.15 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.93 86.26 0.58 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -110.76 159.19 17.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HB3' ' N ' ' A' ' 21' ' ' PHE . 46.0 mttp -113.12 70.8 1.33 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.551 0.691 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 54.1 Cg_endo -69.67 4.0 2.41 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.68 2.254 . . . . 0.0 112.34 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 77.2 m-85 -116.94 85.66 18.14 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.688 0.756 . . . . 0.0 110.913 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 20' ' ' ARG . 54.0 Cg_endo -69.74 151.38 69.19 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.472 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 6.4 t -81.16 160.59 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.3 tp10 -98.24 -40.26 8.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.847 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -62.63 -73.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.9 p -93.5 -49.4 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.458 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 135.86 -19.23 3.74 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.43 HG22 ' CE1' ' A' ' 21' ' ' PHE . 18.4 m -45.83 125.11 5.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.782 0.325 . . . . 0.0 111.096 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 35.7 mtm180 -85.12 169.64 13.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 50.8 m-85 -147.0 136.6 22.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tpp85 -41.93 -54.45 3.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -113.41 160.6 18.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.741 HD11 ' HE2' ' A' ' 28' ' ' LYS . 3.2 tm? -75.81 -60.65 2.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' LEU . 7.5 pt20 -36.66 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 24' ' ' LEU . 93.2 m -77.94 -49.04 14.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.429 HD13 ' CD1' ' A' ' 21' ' ' PHE . 16.8 tp -51.7 -40.17 59.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.741 ' HE2' HD11 ' A' ' 24' ' ' LEU . 40.6 mttm -58.25 -30.1 66.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.6 t -84.24 -14.99 48.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.568 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.9 t60 -78.94 -21.68 46.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.579 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.8 mt -73.46 -5.0 37.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.56 -35.51 79.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.5 pt -77.76 -12.75 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.847 ' CG ' HG21 ' A' ' 16' ' ' ILE . 36.7 m-70 -86.39 -38.84 16.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 31' ' ' LEU . 1.4 t -108.98 76.43 1.01 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -143.19 -161.3 8.77 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 m -105.94 90.03 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.964 0.412 . . . . 0.0 110.856 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.83 -154.7 10.96 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.545 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 40' ' ' SER . 54.2 Cg_endo -69.71 2.1 3.81 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.721 2.281 . . . . 0.0 112.367 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' PRO . 69.0 m -34.65 135.74 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 96.4 p -96.67 136.39 37.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.526 179.963 . . . . . . . . 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 1.451 -0.344 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 40.3 42.83 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.901 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -117.17 -56.78 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.5 157.59 2.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 p -131.01 119.87 22.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 m 51.41 38.54 22.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.23 85.8 0.12 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.519 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.57 80.98 1.57 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -118.24 165.75 13.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.405 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.491 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 30.2 mttm -107.81 75.29 0.5 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.572 0.701 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.406 ' HG2' ' CD1' ' A' ' 12' ' ' TYR . 53.7 Cg_endo -69.77 4.24 2.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.365 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.406 ' CD1' ' HG2' ' A' ' 11' ' ' PRO . 81.1 m-85 -116.94 84.23 15.76 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.637 0.732 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 151.41 68.73 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.341 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.46 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 43.0 t -82.04 162.46 22.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.405 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 3.5 tp10 -100.68 -36.34 9.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.75 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.3 mp -68.59 -73.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.1 p -93.1 -49.09 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.46 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 135.57 -23.85 3.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 14' ' ' CYS . 37.9 m -38.48 114.63 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.788 0.328 . . . . 0.0 111.135 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.491 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 31.2 mtt180 -80.45 160.83 25.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.639 ' CD1' HD13 ' A' ' 27' ' ' LEU . 43.4 m-85 -135.86 166.21 23.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 23' ' ' HIS . 8.8 ptp180 -75.84 -40.55 54.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 22' ' ' ARG . 4.0 m170 -123.5 161.14 25.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.699 ' C ' HD13 ' A' ' 24' ' ' LEU . 2.1 tm? -75.95 -62.67 1.52 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 24' ' ' LEU . 6.2 pt20 -38.41 -30.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' LEU . 72.5 m -77.13 -52.39 9.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.639 HD13 ' CD1' ' A' ' 21' ' ' PHE . 14.9 tp -54.06 -43.1 69.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' CE ' HD11 ' A' ' 24' ' ' LEU . 29.4 mttm -53.06 -33.39 51.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.4 m -80.34 -23.33 40.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.484 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 3.8 t60 -69.48 -20.17 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 31' ' ' LEU . 1.5 mt -73.45 -9.47 58.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -44.36 95.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.9 pt -67.41 -17.88 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.75 ' CG ' HG21 ' A' ' 16' ' ' ILE . 29.5 m-70 -81.26 -55.86 4.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.86 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 t -92.38 125.99 37.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.66 -75.25 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 38' ' ' GLY . 15.1 t -170.07 155.18 5.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.9 0.381 . . . . 0.0 110.914 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 37' ' ' SER . . . -36.01 148.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.539 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 158.31 57.31 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.3 m -80.9 -55.09 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.6 t -86.2 97.76 10.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.53 -179.981 . . . . . . . . 0 0 . 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 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.4 m -45.2 112.93 0.5 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.895 0.379 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -71.11 106.27 3.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.41 92.45 0.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 m -123.67 123.9 41.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -85.02 95.99 9.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.46 70.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.472 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.06 75.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 11' ' ' PRO . 3.9 mm-40 -119.51 162.56 18.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.953 0.406 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 22' ' ' ARG . 4.4 mptt -106.76 72.28 0.3 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.435 ' CD ' ' O ' ' A' ' 9' ' ' GLU . 53.6 Cg_endo -69.75 3.23 2.89 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.687 2.258 . . . . 0.0 112.336 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 24' ' ' LEU . 85.6 m-85 -118.26 85.64 25.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.662 0.744 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 147.14 62.32 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.384 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.475 ' SG ' ' N ' ' A' ' 15' ' ' GLU . 11.8 t -75.08 161.91 29.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.475 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 2.0 mm-40 -100.97 -39.43 7.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.818 HD13 ' CD2' ' A' ' 34' ' ' HIS . 4.1 mp -66.13 -72.5 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.3 p -89.47 -45.76 9.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.435 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 127.56 -22.69 5.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -45.59 128.76 8.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 111.127 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.478 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 10.9 mtm180 -89.81 156.82 18.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.607 ' CZ ' ' CG ' ' A' ' 30' ' ' HIS . 18.1 m-85 -130.9 136.5 48.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.485 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 53.9 ttt180 -37.59 -53.81 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -120.42 157.66 28.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.574 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 6.2 tp -70.31 -57.04 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' LEU . 4.7 pt20 -37.31 -31.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 24' ' ' LEU . 87.2 m -81.34 -42.78 20.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.539 HD13 ' CD1' ' A' ' 21' ' ' PHE . 28.9 tp -56.54 -44.79 81.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -53.74 -32.56 52.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 m -80.95 -19.53 43.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.607 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 5.9 t60 -76.51 -28.15 56.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.589 ' N ' HD23 ' A' ' 31' ' ' LEU . 2.0 mt -71.3 -5.16 30.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.33 -35.48 79.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.5 pt -76.01 -28.76 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.818 ' CD2' HD13 ' A' ' 16' ' ' ILE . 48.8 m-70 -67.84 -58.47 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.501 HG23 ' O ' ' A' ' 35' ' ' THR . 14.4 t -104.07 123.7 47.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -147.24 141.11 9.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.6 m -128.31 40.75 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.914 0.388 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.72 173.06 15.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 118.43 5.68 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.711 2.274 . . . . 0.0 112.346 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.6 p -59.75 176.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.1 p -41.24 160.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.524 179.98 . . . . . . . . 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 -0.347 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -120.14 146.56 45.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.871 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -89.11 169.21 11.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.74 -174.06 28.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 t -65.15 -47.2 77.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.938 0.399 . . . . 0.0 110.894 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -113.3 106.46 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.876 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.46 -105.46 0.86 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.7 177.98 19.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.53 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -93.52 101.04 13.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.933 0.397 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 20' ' ' ARG . 15.0 mtpp 62.82 53.94 1.96 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.531 0.681 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 10' ' ' LYS . 54.2 Cg_endo -69.78 3.87 2.53 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.347 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.568 ' CD2' ' HB2' ' A' ' 24' ' ' LEU . 86.4 m-85 -118.68 84.56 25.07 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.65 0.738 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 133.53 25.87 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.454 ' HB3' ' C ' ' A' ' 18' ' ' GLY . 34.6 t -57.32 162.07 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.434 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 5.1 tt0 -101.85 -37.15 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.618 HG21 ' CG ' ' A' ' 34' ' ' HIS . 5.4 mp -67.14 -72.29 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 p -91.62 -47.76 7.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.454 ' C ' ' HB3' ' A' ' 14' ' ' CYS . . . 133.87 -27.19 3.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.453 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.431 HG22 ' CE1' ' A' ' 21' ' ' PHE . 24.1 m -37.96 123.99 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.8 0.333 . . . . 0.0 111.161 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.468 ' CB ' ' HB3' ' A' ' 10' ' ' LYS . 17.5 mtp180 -85.87 165.41 16.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.56 ' CD1' HD13 ' A' ' 27' ' ' LEU . 30.1 m-85 -142.6 129.64 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' HD2' ' N ' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -36.6 -38.47 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.488 ' N ' ' HD2' ' A' ' 22' ' ' ARG . 10.9 m170 -129.3 169.91 14.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.568 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 5.0 tp -87.38 -57.79 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.47 ' CD ' ' N ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -36.3 -39.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.47 ' N ' ' CD ' ' A' ' 25' ' ' GLN . 42.2 m -74.31 -41.12 61.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.157 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.56 HD13 ' CD1' ' A' ' 21' ' ' PHE . 21.2 tp -60.33 -54.2 48.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -42.92 -34.71 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.416 ' O ' ' CD ' ' A' ' 32' ' ' ARG . 44.6 t -79.4 -29.99 42.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.502 ' CG ' ' CZ ' ' A' ' 21' ' ' PHE . 6.3 t60 -63.02 -24.02 67.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.516 ' N ' HD23 ' A' ' 31' ' ' LEU . 3.0 mt -68.71 -5.33 19.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.416 ' CD ' ' O ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -67.04 -47.58 70.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 17.0 pt -62.78 -22.47 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.618 ' CG ' HG21 ' A' ' 16' ' ' ILE . 41.6 m-70 -77.25 -53.43 7.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 35' ' ' THR . 14.3 t -102.28 120.3 40.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.173 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.55 -35.43 4.93 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.1 m 59.47 42.27 17.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.928 0.394 . . . . 0.0 110.88 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.57 -157.98 7.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.506 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 106.26 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.358 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.5 t -43.12 162.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.0 p -113.69 130.84 56.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.487 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_