data_2elo_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 2elo _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.876 0.37 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.8 m -103.78 156.98 17.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -101.19 98.82 9.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.08 2.98 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.29 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.559 HG13 ' CE1' ' A' ' 33' ' ' HIS . 42.3 t -93.28 -50.35 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 p -122.87 27.06 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 40.3 40.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.444 ' HE3' ' CZ ' ' A' ' 19' ' ' PHE . 12.0 ttpp -108.24 153.45 23.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 m -117.46 160.36 21.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.506 ' CD1' HD13 ' A' ' 25' ' ' ILE . 68.7 m-85 -138.25 163.19 32.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 m -87.31 -44.27 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -90.38 170.29 10.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.47 -20.21 17.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -89.57 -17.02 29.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.7 mt -73.97 -44.44 54.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.506 HD13 ' CD1' ' A' ' 19' ' ' PHE . 2.8 tp -62.57 -33.56 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -67.98 -52.56 34.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.4 t -67.75 -40.11 84.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' ASN . 19.7 t60 -51.46 -61.4 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.3 mt -54.15 -42.04 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -55.68 -57.73 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.81 -61.91 1.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 28' ' ' HIS . 14.3 m120 -51.42 -50.1 60.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.559 ' CE1' HG13 ' A' ' 14' ' ' VAL . 22.5 m-70 -109.66 80.59 1.66 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -47.23 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.915 0.388 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -102.29 134.88 44.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 16' ' ' GLU . 4.0 t -75.72 119.55 77.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 0.44 5.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.614 2.209 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.445 HG13 ' CE1' ' A' ' 33' ' ' HIS . 16.0 t -102.81 -47.49 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 16' ' ' GLU . 22.8 p -122.23 24.5 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 15' ' ' CYS . 8.4 tt0 34.77 43.73 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -105.4 123.57 48.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p -88.55 158.36 18.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -137.42 129.62 29.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -48.54 -40.97 28.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -106.63 168.62 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -95.54 -28.61 14.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -69.09 -28.35 66.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.5 mt -71.12 -63.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.2 tp -41.9 -37.49 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -64.89 -43.29 93.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 m -73.17 -38.53 66.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.495 ' ND1' ' ND2' ' A' ' 32' ' ' ASN . 7.2 t60 -54.39 -59.93 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' HIS . 65.5 mt -45.1 -44.17 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -61.66 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.6 m -65.92 -62.0 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.495 ' ND2' ' ND1' ' A' ' 28' ' ' HIS . 14.4 m-80 -55.39 -48.46 74.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.445 ' CE1' HG13 ' A' ' 14' ' ' VAL . 12.1 m-70 -113.54 79.53 4.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.576 0.703 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.18 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.935 0.398 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 t -118.27 132.83 56.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.2 t -71.37 117.66 58.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.732 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 2.65 3.31 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.728 2.286 . . . . 0.0 112.364 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.431 HG13 ' CE1' ' A' ' 33' ' ' HIS . 37.8 t -97.71 -55.88 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 16' ' ' GLU . 17.7 p -120.83 32.76 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 15' ' ' CYS . 4.4 tp10 34.01 48.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -83.35 160.11 21.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -125.84 148.35 49.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CD2' ' HB3' ' A' ' 24' ' ' LEU . 72.2 m-85 -148.17 163.24 37.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.1 t -93.31 -36.5 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -110.19 168.25 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.13 -24.73 24.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -71.58 -16.31 62.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.489 ' HB3' ' CD2' ' A' ' 19' ' ' PHE . 45.8 mt -85.54 -48.07 9.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 26' ' ' LYS . 2.5 tp -58.78 -25.51 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.467 ' N ' HG22 ' A' ' 25' ' ' ILE . 15.6 ptmt -84.98 -40.79 16.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.458 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 73.1 p -70.18 -28.0 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.551 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 8.7 t60 -66.5 -69.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.489 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 87.6 mt -35.22 -45.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -58.68 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.1 m -69.43 -61.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.551 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 3.2 m-80 -55.13 -44.39 75.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.431 ' CE1' HG13 ' A' ' 14' ' ' VAL . 9.2 m-70 -117.64 82.33 15.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.71 . . . . 0.0 110.808 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.18 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.888 0.375 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -119.48 141.6 49.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.8 t -77.57 115.01 46.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.9 3.11 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.686 2.258 . . . . 0.0 112.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.549 HG11 ' CE1' ' A' ' 33' ' ' HIS . 47.1 t -101.42 -54.63 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 16' ' ' GLU . 22.3 p -110.81 29.85 7.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 15' ' ' CYS . 34.5 tt0 34.07 45.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -98.07 168.17 10.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.0 m -137.03 141.14 42.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.551 ' CD1' HD13 ' A' ' 25' ' ' ILE . 3.7 m-85 -130.44 164.93 23.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 t -92.44 -43.87 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -98.34 165.05 12.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.0 -29.01 21.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -72.72 -26.39 61.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.9 mt -75.67 -48.39 22.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.551 HD13 ' CD1' ' A' ' 19' ' ' PHE . 1.7 tp -65.71 -43.81 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -64.69 -38.39 90.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.443 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 28.5 m -76.87 -21.08 55.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.579 ' CE1' ' OD1' ' A' ' 32' ' ' ASN . 6.6 t60 -72.24 -63.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.431 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 45.6 mt -50.62 -23.41 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -66.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.2 t -80.91 -34.77 33.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.579 ' OD1' ' CE1' ' A' ' 28' ' ' HIS . 5.7 m-80 -61.91 -54.09 46.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.549 ' CE1' HG11 ' A' ' 14' ' ' VAL . 3.9 m-70 -126.54 81.05 68.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -49.9 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.257 . . . . 0.0 112.364 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.944 0.402 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.2 m -115.16 122.8 47.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.5 t -58.37 135.1 85.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -39.39 6.51 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.517 HG12 ' CE1' ' A' ' 33' ' ' HIS . 82.6 t -74.33 -46.83 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.488 ' O ' ' C ' ' A' ' 16' ' ' GLU . 29.9 p -130.04 79.0 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 15' ' ' CYS . 27.5 mt-10 -30.35 94.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 15' ' ' CYS . 22.2 ttmt -144.5 125.31 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.4 p -85.83 124.21 32.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -99.47 130.73 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -42.21 -44.44 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 73.8 mt-10 -102.61 163.18 12.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.463 ' O ' ' CG2' ' A' ' 25' ' ' ILE . 16.8 p-10 -85.01 -47.06 10.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -23.22 64.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 34.2 mt -65.57 -55.21 18.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 26' ' ' LYS . 3.2 tp -51.87 -30.64 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.489 ' N ' HG22 ' A' ' 25' ' ' ILE . 28.8 mmtt -69.01 -54.8 13.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 m -64.52 -36.75 85.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' ASN . 10.4 t60 -52.84 -60.7 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.0 mt -53.92 -40.69 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -55.29 -53.73 52.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.2 m -83.19 -62.01 1.7 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' HIS . 16.1 m120 -43.84 -45.16 7.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.517 ' CE1' HG12 ' A' ' 14' ' ' VAL . 32.9 m-70 -127.25 88.72 53.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.587 0.708 . . . . 0.0 110.833 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.502 ' CZ ' ' OD2' ' A' ' 22' ' ' ASP . 23.6 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.889 0.376 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -115.34 131.07 57.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.0 t -67.9 118.09 54.7 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 2.88 3.1 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.385 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.1 -65.63 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 p -88.49 -5.36 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 61.48 46.26 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -92.96 179.55 5.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.6 p -137.0 123.59 20.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CE1' HD12 ' A' ' 25' ' ' ILE . 11.4 m-85 -125.07 163.47 22.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.7 p -97.67 -47.06 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -88.32 166.8 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.502 ' OD2' ' CZ ' ' A' ' 10' ' ' TYR . 1.3 m-20 -86.65 -40.17 15.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -59.26 -34.42 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.5 mt -59.09 -60.52 3.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.556 HD12 ' CE1' ' A' ' 19' ' ' PHE . 5.4 tp -57.81 -26.78 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.461 ' N ' HG23 ' A' ' 25' ' ' ILE . 29.5 mmtt -73.1 -60.83 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.3 t -61.2 -39.01 88.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -51.27 -66.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.462 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 74.8 mt -47.12 -40.16 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.86 -66.57 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.8 m -69.94 -56.85 5.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -53.48 -47.74 69.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.462 ' CD2' ' HA ' ' A' ' 29' ' ' ILE . 10.2 m-70 -117.96 81.96 16.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -51.64 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.629 2.219 . . . . 0.0 112.326 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.876 0.37 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 p -120.75 143.8 48.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.7 t -90.04 112.53 52.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 0.37 5.71 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.731 2.287 . . . . 0.0 112.365 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.491 ' CG1' ' CE1' ' A' ' 33' ' ' HIS . 63.5 t -92.89 -60.77 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' GLU . 26.2 p -114.86 34.01 5.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' CYS . 10.3 pt-20 34.23 45.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -109.75 125.07 52.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.411 ' HG ' ' N ' ' A' ' 19' ' ' PHE . 41.4 t -104.81 156.82 17.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.411 ' N ' ' HG ' ' A' ' 18' ' ' SER . 56.2 m-85 -143.76 108.24 4.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -44.46 -38.42 4.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -69.33 -179.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -113.79 -28.12 7.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -89.41 -13.64 37.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.3 mt -80.08 -35.55 36.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 tp -73.34 -34.58 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HD2' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -78.94 -37.0 40.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.7 t -79.73 -20.14 47.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.536 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 3.1 t60 -77.4 -63.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.536 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 83.5 mt -43.9 -23.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -79.34 -65.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 32' ' ' ASN . 9.3 t -61.19 -50.54 72.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.187 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.408 ' N ' ' CG2' ' A' ' 31' ' ' THR . 10.4 m-80 -63.39 -41.5 98.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.491 ' CE1' ' CG1' ' A' ' 14' ' ' VAL . 17.1 m-70 -127.25 81.75 69.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.644 0.735 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -48.01 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.912 0.386 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.7 m -120.45 148.57 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.0 t -94.21 111.24 52.64 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.53 3.46 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.698 2.266 . . . . 0.0 112.288 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.2 t -99.08 -52.94 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' GLU . 29.7 p -119.79 32.28 6.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' CYS . 24.9 tt0 34.35 39.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -105.93 128.69 53.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.448 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 8.4 t -103.87 169.7 8.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 18' ' ' SER . 30.1 m-85 -145.9 164.74 31.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.8 t -81.19 -47.08 13.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -100.34 163.77 12.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -74.55 -67.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' ASP . 11.0 ptm180 -36.61 -33.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.409 ' HB3' ' CD2' ' A' ' 19' ' ' PHE . 19.5 mt -54.45 -61.55 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 26' ' ' LYS . 2.7 tp -57.98 -24.22 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.469 ' N ' HG23 ' A' ' 25' ' ' ILE . 19.2 mtpp -74.02 -43.53 57.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -77.76 -36.73 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.417 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 12.3 t60 -55.34 -54.86 38.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.32 -14.04 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -77.8 -42.02 35.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 32' ' ' ASN . 9.9 t -93.81 -48.12 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.417 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 7.4 m-80 -60.98 -50.02 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -121.35 77.64 34.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -50.75 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.337 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.899 0.381 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.6 p -120.78 156.44 31.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.8 t -104.76 112.59 65.32 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 2.97 3.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.274 . . . . 0.0 112.39 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.539 HG11 ' CE1' ' A' ' 33' ' ' HIS . 13.0 t -93.96 -52.43 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 16' ' ' GLU . 24.2 p -128.43 37.75 4.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' CYS . 3.6 pm0 33.89 53.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -103.53 128.05 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.6 p -99.28 157.45 16.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CE1' HD13 ' A' ' 25' ' ' ILE . 8.8 m-85 -149.4 161.76 41.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 m -98.39 -42.65 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -87.13 165.81 15.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.28 -20.77 23.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -88.53 -14.22 38.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.5 mt -77.11 -33.58 56.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.556 HD13 ' CE1' ' A' ' 19' ' ' PHE . 3.3 tp -77.07 -48.84 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -63.24 -36.12 82.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 15.4 t -81.51 -18.41 45.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 2.9 t60 -75.72 -59.49 2.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.455 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 69.6 mt -51.18 -40.13 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -59.81 -61.57 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.0 m -66.03 -62.06 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -52.51 -47.41 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.539 ' CE1' HG11 ' A' ' 14' ' ' VAL . 6.9 m-70 -115.63 84.58 12.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 0.0 110.847 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -47.91 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.913 0.387 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -104.85 138.5 41.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -64.46 134.63 96.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.468 ' CD ' HD11 ' A' ' 29' ' ' ILE . 53.6 Cg_endo -69.79 -35.7 12.08 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.573 ' CG1' ' CE1' ' A' ' 33' ' ' HIS . 93.7 t -78.56 -42.01 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.501 ' O ' ' C ' ' A' ' 16' ' ' GLU . 29.8 p -134.99 81.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.501 ' C ' ' O ' ' A' ' 15' ' ' CYS . 19.2 mt-10 -29.58 94.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.549 ' HG2' ' CE1' ' A' ' 19' ' ' PHE . 32.0 tttt -144.44 124.22 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.9 p -84.07 143.26 29.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.563 ' CD1' HD13 ' A' ' 25' ' ' ILE . 7.0 m-85 -118.71 149.5 41.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t -68.36 -38.64 81.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -103.29 167.87 9.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.7 -22.62 14.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -83.69 -10.62 58.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.4 mt -89.19 -58.35 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.563 HD13 ' CD1' ' A' ' 19' ' ' PHE . 6.6 tp -38.79 -51.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -58.58 -43.79 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.8 t -63.71 -49.13 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 2.3 t60 -49.94 -58.71 4.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.469 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 95.9 mt -45.8 -36.55 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -68.33 -61.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.81 -58.73 6.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -54.53 -50.27 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.573 ' CE1' ' CG1' ' A' ' 14' ' ' VAL . 7.5 m-70 -127.61 82.83 67.56 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.29 37.57 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.547 ' CZ ' ' OD2' ' A' ' 22' ' ' ASP . 7.4 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.4 t -89.68 139.29 30.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.8 t -79.82 116.87 64.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.22 2.9 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.569 HG11 ' CE1' ' A' ' 33' ' ' HIS . 59.7 t -103.16 -51.41 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 16' ' ' GLU . 7.7 p -117.83 28.12 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' CYS . 28.6 mt-10 33.61 39.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -93.62 174.99 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -137.94 152.05 48.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -139.07 144.8 38.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -70.35 -44.12 68.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.06 169.62 10.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.547 ' OD2' ' CZ ' ' A' ' 10' ' ' TYR . 7.9 t70 -96.28 -11.1 26.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.9 ptt85 -90.98 -27.01 18.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.64 -54.69 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.6 tp -54.29 -36.62 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -68.5 -69.26 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -53.09 -16.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.53 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 23.4 t60 -74.33 -68.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.0 mt -46.51 -33.47 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -53.85 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 32' ' ' ASN . 9.9 t -78.86 -50.09 11.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.53 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 7.9 m-80 -53.99 -53.2 56.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CE1' HG11 ' A' ' 14' ' ' VAL . 3.4 m-70 -121.25 82.88 38.72 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.564 0.697 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.46 0.46 Allowed 'Trans proline' 0 C--N 1.34 0.111 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.884 0.374 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p -135.69 138.49 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t -76.39 120.53 82.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 6.2 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.5 t -114.76 -62.58 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.8 p -90.02 -25.05 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 74.99 43.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -101.92 141.49 34.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.8 p -104.62 134.06 48.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -123.57 133.14 54.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -58.6 -43.79 89.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -87.07 165.71 15.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -89.16 -32.57 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -72.77 -39.35 66.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.5 mt -50.23 -57.33 8.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.9 tp -60.64 -47.8 91.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -51.26 -64.68 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -60.55 -42.16 95.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -47.47 -50.97 21.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.8 mt -54.99 -40.11 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -68.35 -51.48 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.8 m -65.7 -62.22 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -60.31 -46.07 91.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -117.44 77.39 10.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.711 . . . . 0.0 110.836 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -50.59 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.899 0.38 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 p -125.89 121.92 34.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.9 t -64.31 117.26 35.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.707 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -2.17 9.75 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.319 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.539 HG13 ' CE1' ' A' ' 33' ' ' HIS . 47.2 t -94.67 -62.94 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 17' ' ' LYS . 26.8 p -108.35 30.2 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER 35.21 32.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 15' ' ' CYS . 2.7 ttmp? -101.32 125.49 47.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.7 p -106.46 154.04 21.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -128.71 139.5 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.2 t -52.64 -50.53 62.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -83.31 156.12 23.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -83.15 -38.41 22.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -67.18 -30.32 70.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.3 mt -65.75 -60.67 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 26' ' ' LYS . 4.0 tp -47.53 -38.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.405 ' N ' HG22 ' A' ' 25' ' ' ILE . 37.9 mttp -63.74 -57.05 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.2 t -57.24 -47.2 81.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.494 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 6.0 t60 -45.3 -60.89 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.5 mt -43.09 -40.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -62.2 -62.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.4 m -62.59 -59.87 4.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.494 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 5.5 m-80 -55.01 -49.39 71.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.539 ' CE1' HG13 ' A' ' 14' ' ' VAL . 5.2 m-70 -120.32 81.91 30.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 0.0 110.925 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -45.68 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.648 2.232 . . . . 0.0 112.338 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.869 0.366 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.3 m -97.17 153.42 18.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.3 t -95.96 104.25 16.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.14 3.79 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.465 HG11 ' CE1' ' A' ' 33' ' ' HIS . 57.3 t -93.47 -54.9 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 16' ' ' GLU . 20.3 p -116.01 32.51 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 15' ' ' CYS . 19.1 tt0 37.47 49.97 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.819 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -105.59 176.52 5.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.4 t -135.63 152.79 51.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -150.77 122.31 7.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.9 m -84.81 28.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -154.09 155.53 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -84.19 -36.36 22.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -69.83 -39.4 76.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.16 -51.57 67.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.9 tp -62.22 -43.77 98.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -60.28 -52.87 63.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.4 t -64.7 -43.26 94.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -50.26 -70.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.423 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 86.1 mt -47.24 -39.13 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -66.78 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.7 m -78.2 -57.95 3.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -44.12 -43.56 7.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.465 ' CE1' HG11 ' A' ' 14' ' ' VAL . 3.9 m-70 -132.39 89.48 36.57 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.576 0.703 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -50.3 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.895 0.379 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.1 p -129.4 143.85 51.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -83.77 115.83 61.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.639 0.733 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 2.6 3.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.615 ' CG1' ' CE1' ' A' ' 33' ' ' HIS . 46.3 t -96.96 -46.79 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 16' ' ' GLU . 21.1 p -131.81 32.77 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 15' ' ' CYS . 41.5 tt0 33.88 54.84 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.405 ' HG2' ' CE1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -98.4 126.5 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.8 p -106.88 141.34 38.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.405 ' CE1' ' HG2' ' A' ' 17' ' ' LYS . 85.0 m-85 -135.59 165.36 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.2 t -86.33 -45.56 11.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.41 ' OE1' ' NH1' ' A' ' 23' ' ' ARG . 21.4 mm-40 -96.14 173.88 7.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -91.79 -47.49 7.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' NH1' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -52.65 -20.38 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.6 mt -78.44 -59.02 2.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 26' ' ' LYS . 3.0 tp -55.34 -35.7 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.46 ' N ' HG22 ' A' ' 25' ' ' ILE . 17.6 mtmt -69.76 -49.78 49.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 94.6 p -59.75 -43.57 94.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.59 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 5.7 t60 -51.89 -70.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.59 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 86.7 mt -34.82 -47.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -58.54 -58.72 7.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.4 m -66.47 -62.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.476 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 3.0 m-80 -53.54 -48.6 68.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.615 ' CE1' ' CG1' ' A' ' 14' ' ' VAL . 23.6 m-70 -120.77 82.83 35.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.623 0.725 . . . . 0.0 110.817 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -43.67 2.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.879 0.371 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.0 p -124.08 124.27 42.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -59.49 109.97 2.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 1.37 4.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.445 HG11 ' CE1' ' A' ' 33' ' ' HIS . 57.9 t -92.5 -49.72 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' GLU . 28.0 p -128.39 38.02 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' CYS . 29.1 tp10 35.19 53.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -91.21 158.51 16.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.1 t -133.71 152.69 51.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.555 ' CE1' HD11 ' A' ' 25' ' ' ILE . 95.3 m-85 -149.47 161.82 41.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 t -94.13 -31.04 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -102.86 168.09 9.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -87.5 -47.68 8.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -18.63 65.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 mt -73.4 -49.25 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.555 HD11 ' CE1' ' A' ' 19' ' ' PHE . 5.8 tp -61.86 -29.16 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.443 ' N ' HG21 ' A' ' 25' ' ' ILE . 55.3 mttm -72.02 -41.95 66.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -67.34 -40.17 85.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.585 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 19.9 t60 -53.37 -74.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.494 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 87.2 mt -34.81 -32.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -72.47 -60.31 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.28 -51.65 50.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.585 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 3.1 m-80 -61.84 -46.77 88.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.445 ' CE1' HG11 ' A' ' 14' ' ' VAL . 47.9 m-70 -122.58 79.96 47.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 110.821 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -47.54 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.24 . . . . 0.0 112.308 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.894 0.378 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.5 p -114.6 113.03 23.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.6 t -59.36 111.61 4.02 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.629 0.728 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 1.71 4.17 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.498 HG11 ' CG ' ' A' ' 33' ' ' HIS . 44.3 t -95.85 -55.39 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' GLU . 27.0 p -118.96 32.06 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.835 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' CYS . 6.9 mt-10 34.45 41.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.51 ' HG2' ' CE1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -104.0 125.61 50.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.9 t -92.63 160.35 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.51 ' CE1' ' HG2' ' A' ' 17' ' ' LYS . 64.3 m-85 -147.56 134.09 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -84.68 19.96 1.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -138.18 160.06 40.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -92.82 -34.01 14.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.1 ptt85 -80.47 -30.7 37.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.0 mt -67.56 -46.75 71.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.6 tp -63.53 -47.6 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -58.13 -56.55 20.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.5 m -62.12 -47.31 85.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 5.0 t60 -46.7 -62.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.463 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 83.0 mt -43.59 -34.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -71.58 -66.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.3 t -51.06 -50.13 59.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -72.76 -41.53 64.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.498 ' CG ' HG11 ' A' ' 14' ' ' VAL . 2.8 m-70 -126.18 84.05 62.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.699 . . . . 0.0 110.831 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.468 ' CD ' ' C ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.556 ' CE1' ' OD2' ' A' ' 22' ' ' ASP . 10.1 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.86 0.362 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.1 m -133.63 143.47 48.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' N ' HD13 ' A' ' 25' ' ' ILE . 36.0 t -77.13 114.95 44.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.57 3.44 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.6 t -96.8 -55.36 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 16' ' ' GLU . 15.4 p -120.15 36.23 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' CYS . 46.7 mt-10 33.97 52.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -94.78 169.7 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.0 p -137.48 136.51 37.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CD2' ' HB3' ' A' ' 24' ' ' LEU . 78.0 m-85 -130.0 165.61 21.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -89.33 -43.4 10.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -107.64 168.43 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.556 ' OD2' ' CE1' ' A' ' 10' ' ' TYR . 5.2 m-20 -82.79 -39.06 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.416 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 0.8 OUTLIER -60.3 -16.26 32.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.888 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.403 ' HB3' ' CD2' ' A' ' 19' ' ' PHE . 59.1 mt -85.64 -45.73 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 26' ' ' LYS . 3.9 tp -61.39 -23.71 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.447 ' N ' HG21 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -86.83 -38.6 16.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.428 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 98.4 p -74.28 -26.51 60.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.411 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 7.6 t60 -67.89 -60.19 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 33' ' ' HIS . 96.9 mt -48.51 -39.74 10.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -56.22 -61.3 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.4 m -68.78 -57.93 4.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.411 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 6.9 m-80 -54.47 -50.81 66.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 29' ' ' ILE . 3.3 m-70 -121.83 82.39 42.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.639 0.733 . . . . 0.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -51.49 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 p -85.81 134.89 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -83.51 114.62 54.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.727 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 2.8 3.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 33' ' ' HIS . 76.4 t -99.75 -54.12 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 16' ' ' GLU . 19.4 p -119.29 33.3 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 15' ' ' CYS . 36.8 mt-10 34.14 36.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 15' ' ' CYS . 20.6 ttmt -107.91 122.4 46.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.7 p -101.88 142.56 33.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -119.72 137.14 54.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 t -61.11 -41.42 96.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.94 175.09 7.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -109.02 -23.16 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -89.16 -39.3 13.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.1 mt -56.2 -45.02 80.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.9 tp -62.39 -36.48 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -70.35 -56.13 7.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.0 p -61.4 -40.26 93.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.608 ' HD1' ' ND2' ' A' ' 32' ' ' ASN . 9.3 t60 -51.96 -65.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' HIS . 68.0 mt -37.08 -28.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' HIS . 14.5 ttmm -78.72 -66.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 t -56.79 -49.4 75.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.608 ' ND2' ' HD1' ' A' ' 28' ' ' HIS . 4.8 m-80 -66.91 -45.01 79.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.557 ' CE1' HG11 ' A' ' 14' ' ' VAL . 14.6 m-70 -124.1 82.4 56.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -50.63 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.401 ' O ' ' CD ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.859 0.361 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -134.5 136.2 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.88 118.49 65.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.85 2.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -104.97 -57.72 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 14.1 p -97.33 -14.37 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 65.93 49.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.3 OUTLIER -114.51 147.27 39.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -99.8 151.91 20.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CD1' HD12 ' A' ' 25' ' ' ILE . 6.9 m-85 -134.53 165.33 25.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -93.46 -43.27 8.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -107.3 147.21 30.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.64 -40.16 84.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -57.96 -39.24 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.59 -58.81 5.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.482 HD12 ' CD1' ' A' ' 19' ' ' PHE . 2.2 tp -55.93 -37.81 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -61.86 -62.13 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.1 t -58.65 -41.21 85.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -46.48 -50.85 16.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.51 -37.95 76.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -65.83 -52.25 52.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.5 m -74.35 -60.66 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.131 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -55.82 -49.0 74.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -111.72 78.81 2.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.518 0.675 . . . . 0.0 110.822 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -51.15 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -53.43 123.61 12.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 m -117.24 120.15 37.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.66 41.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -174.18 111.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 110.865 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 p -162.57 136.87 6.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.802 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.77 -148.98 4.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -106.48 84.89 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.8 m -119.65 147.07 44.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -102.62 108.38 19.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.8 m -103.78 156.98 17.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -101.19 98.82 9.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.08 2.98 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.29 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.559 HG13 ' CE1' ' A' ' 33' ' ' HIS . 42.3 t -93.28 -50.35 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 p -122.87 27.06 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 40.3 40.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' HE3' ' CZ ' ' A' ' 19' ' ' PHE . 12.0 ttpp -108.24 153.45 23.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 m -117.46 160.36 21.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.506 ' CD1' HD13 ' A' ' 25' ' ' ILE . 68.7 m-85 -138.25 163.19 32.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 m -87.31 -44.27 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -90.38 170.29 10.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.47 -20.21 17.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -89.57 -17.02 29.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.7 mt -73.97 -44.44 54.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.506 HD13 ' CD1' ' A' ' 19' ' ' PHE . 2.8 tp -62.57 -33.56 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -67.98 -52.56 34.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.4 t -67.75 -40.11 84.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' ASN . 19.7 t60 -51.46 -61.4 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.3 mt -54.15 -42.04 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -55.68 -57.73 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.81 -61.91 1.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 28' ' ' HIS . 14.3 m120 -51.42 -50.1 60.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.559 ' CE1' HG13 ' A' ' 14' ' ' VAL . 22.5 m-70 -109.66 80.59 1.66 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -47.23 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -130.87 35.51 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.8 t -122.8 52.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.846 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -154.1 158.36 40.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.831 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -77.49 101.23 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.34 125.59 3.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -42.74 119.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.853 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -80.54 109.13 14.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.83 -39.48 2.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.442 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.3 ttp-105 65.59 44.2 3.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.6 p -127.0 160.42 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -85.06 125.24 32.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -102.29 134.88 44.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 16' ' ' GLU . 4.0 t -75.72 119.55 77.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 0.44 5.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.614 2.209 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.445 HG13 ' CE1' ' A' ' 33' ' ' HIS . 16.0 t -102.81 -47.49 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 16' ' ' GLU . 22.8 p -122.23 24.5 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 15' ' ' CYS . 8.4 tt0 34.77 43.73 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -105.4 123.57 48.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p -88.55 158.36 18.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -137.42 129.62 29.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -48.54 -40.97 28.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -106.63 168.62 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -95.54 -28.61 14.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -69.09 -28.35 66.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.5 mt -71.12 -63.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.2 tp -41.9 -37.49 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -64.89 -43.29 93.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 m -73.17 -38.53 66.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.495 ' ND1' ' ND2' ' A' ' 32' ' ' ASN . 7.2 t60 -54.39 -59.93 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' HIS . 65.5 mt -45.1 -44.17 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -61.66 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.6 m -65.92 -62.0 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.495 ' ND2' ' ND1' ' A' ' 28' ' ' HIS . 14.4 m-80 -55.39 -48.46 74.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.445 ' CE1' HG13 ' A' ' 14' ' ' VAL . 12.1 m-70 -113.54 79.53 4.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.576 0.703 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.18 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -129.43 40.41 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.9 t -124.25 50.69 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.844 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m -117.96 119.67 35.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -42.43 -46.66 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.73 62.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.5 p 40.19 42.84 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.366 . . . . 0.0 110.864 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -53.66 154.44 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.51 172.7 35.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -101.19 40.93 1.23 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.0 p -92.72 156.18 17.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -107.41 128.91 54.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 t -118.27 132.83 56.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.2 t -71.37 117.66 58.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.732 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 2.65 3.31 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.728 2.286 . . . . 0.0 112.364 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.431 HG13 ' CE1' ' A' ' 33' ' ' HIS . 37.8 t -97.71 -55.88 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 16' ' ' GLU . 17.7 p -120.83 32.76 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 15' ' ' CYS . 4.4 tp10 34.01 48.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -83.35 160.11 21.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -125.84 148.35 49.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CD2' ' HB3' ' A' ' 24' ' ' LEU . 72.2 m-85 -148.17 163.24 37.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.1 t -93.31 -36.5 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -110.19 168.25 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.13 -24.73 24.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -71.58 -16.31 62.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.489 ' HB3' ' CD2' ' A' ' 19' ' ' PHE . 45.8 mt -85.54 -48.07 9.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 26' ' ' LYS . 2.5 tp -58.78 -25.51 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' N ' HG22 ' A' ' 25' ' ' ILE . 15.6 ptmt -84.98 -40.79 16.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.458 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 73.1 p -70.18 -28.0 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.551 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 8.7 t60 -66.5 -69.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.489 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 87.6 mt -35.22 -45.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -58.68 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.1 m -69.43 -61.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.551 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 3.2 m-80 -55.13 -44.39 75.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.431 ' CE1' HG13 ' A' ' 14' ' ' VAL . 9.2 m-70 -117.64 82.33 15.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.71 . . . . 0.0 110.808 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.18 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -118.87 39.79 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.4 t -153.52 132.66 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.806 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 t -57.58 -62.1 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.837 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 t -94.85 -46.22 6.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.86 90.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -124.39 168.78 12.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 m -106.33 -48.01 3.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.4 159.15 38.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.7 ptt85 -116.57 39.73 3.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.808 0.337 . . . . 0.0 110.823 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.4 p -94.58 173.79 7.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -110.92 138.11 47.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -119.48 141.6 49.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.8 t -77.57 115.01 46.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.9 3.11 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.686 2.258 . . . . 0.0 112.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.549 HG11 ' CE1' ' A' ' 33' ' ' HIS . 47.1 t -101.42 -54.63 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 16' ' ' GLU . 22.3 p -110.81 29.85 7.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 15' ' ' CYS . 34.5 tt0 34.07 45.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -98.07 168.17 10.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.0 m -137.03 141.14 42.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.551 ' CD1' HD13 ' A' ' 25' ' ' ILE . 3.7 m-85 -130.44 164.93 23.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 t -92.44 -43.87 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -98.34 165.05 12.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.0 -29.01 21.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -72.72 -26.39 61.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.9 mt -75.67 -48.39 22.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.551 HD13 ' CD1' ' A' ' 19' ' ' PHE . 1.7 tp -65.71 -43.81 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -64.69 -38.39 90.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.443 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 28.5 m -76.87 -21.08 55.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.579 ' CE1' ' OD1' ' A' ' 32' ' ' ASN . 6.6 t60 -72.24 -63.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.431 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 45.6 mt -50.62 -23.41 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -66.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.2 t -80.91 -34.77 33.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.579 ' OD1' ' CE1' ' A' ' 28' ' ' HIS . 5.7 m-80 -61.91 -54.09 46.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.549 ' CE1' HG11 ' A' ' 14' ' ' VAL . 3.9 m-70 -126.54 81.05 68.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -49.9 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.257 . . . . 0.0 112.364 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -115.92 -25.22 7.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.6 t -83.68 46.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.849 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -151.04 152.38 33.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.915 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.9 p -77.29 136.71 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.47 -59.38 1.45 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -122.46 -36.58 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -160.52 135.23 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.94 94.99 0.44 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.534 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -135.17 153.89 51.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.6 p -89.08 160.14 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -104.61 141.46 36.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.2 m -115.16 122.8 47.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.5 t -58.37 135.1 85.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -39.39 6.51 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.517 HG12 ' CE1' ' A' ' 33' ' ' HIS . 82.6 t -74.33 -46.83 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.488 ' O ' ' C ' ' A' ' 16' ' ' GLU . 29.9 p -130.04 79.0 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 15' ' ' CYS . 27.5 mt-10 -30.35 94.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 15' ' ' CYS . 22.2 ttmt -144.5 125.31 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.4 p -85.83 124.21 32.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -99.47 130.73 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -42.21 -44.44 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 24' ' ' LEU . 73.8 mt-10 -102.61 163.18 12.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.463 ' O ' ' CG2' ' A' ' 25' ' ' ILE . 16.8 p-10 -85.01 -47.06 10.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -23.22 64.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 21' ' ' GLU . 34.2 mt -65.57 -55.21 18.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 26' ' ' LYS . 3.2 tp -51.87 -30.64 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.489 ' N ' HG22 ' A' ' 25' ' ' ILE . 28.8 mmtt -69.01 -54.8 13.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 m -64.52 -36.75 85.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' ASN . 10.4 t60 -52.84 -60.7 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.0 mt -53.92 -40.69 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -55.29 -53.73 52.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.2 m -83.19 -62.01 1.7 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' HIS . 16.1 m120 -43.84 -45.16 7.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.517 ' CE1' HG12 ' A' ' 14' ' ' VAL . 32.9 m-70 -127.25 88.72 53.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.587 0.708 . . . . 0.0 110.833 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -88.64 40.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.449 ' CG2' ' HB3' ' A' ' 33' ' ' HIS . 9.5 t -143.76 150.21 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.858 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -115.32 -44.81 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 0.0 110.827 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 m -84.47 127.17 33.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.25 59.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 m -84.71 -60.88 1.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 110.817 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -53.4 152.11 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.84 97.28 0.47 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -88.45 -45.15 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.837 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.3 p -72.49 163.94 27.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.502 ' CZ ' ' OD2' ' A' ' 22' ' ' ASP . 23.6 m-85 -94.03 118.27 31.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -115.34 131.07 57.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.0 t -67.9 118.09 54.7 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 2.88 3.1 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.385 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.1 -65.63 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 p -88.49 -5.36 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 61.48 46.26 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -92.96 179.55 5.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.6 p -137.0 123.59 20.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CE1' HD12 ' A' ' 25' ' ' ILE . 11.4 m-85 -125.07 163.47 22.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.7 p -97.67 -47.06 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -88.32 166.8 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.502 ' OD2' ' CZ ' ' A' ' 10' ' ' TYR . 1.3 m-20 -86.65 -40.17 15.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -59.26 -34.42 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.5 mt -59.09 -60.52 3.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.556 HD12 ' CE1' ' A' ' 19' ' ' PHE . 5.4 tp -57.81 -26.78 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.461 ' N ' HG23 ' A' ' 25' ' ' ILE . 29.5 mmtt -73.1 -60.83 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.3 t -61.2 -39.01 88.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -51.27 -66.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.462 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 74.8 mt -47.12 -40.16 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.86 -66.57 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.8 m -69.94 -56.85 5.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -53.48 -47.74 69.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.462 ' CD2' ' HA ' ' A' ' 29' ' ' ILE . 10.2 m-70 -117.96 81.96 16.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -51.64 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.629 2.219 . . . . 0.0 112.326 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -113.95 -35.99 4.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.32 144.69 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.839 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -56.39 93.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -113.89 131.21 56.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.93 64.13 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -127.45 42.19 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.894 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 t -70.34 90.5 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.57 134.57 5.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -94.26 41.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.4 p -105.2 146.76 28.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -90.3 140.58 29.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 p -120.75 143.8 48.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.7 t -90.04 112.53 52.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 0.37 5.71 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.731 2.287 . . . . 0.0 112.365 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.491 ' CG1' ' CE1' ' A' ' 33' ' ' HIS . 63.5 t -92.89 -60.77 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' GLU . 26.2 p -114.86 34.01 5.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' CYS . 10.3 pt-20 34.23 45.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -109.75 125.07 52.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.411 ' HG ' ' N ' ' A' ' 19' ' ' PHE . 41.4 t -104.81 156.82 17.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.411 ' N ' ' HG ' ' A' ' 18' ' ' SER . 56.2 m-85 -143.76 108.24 4.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -44.46 -38.42 4.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -69.33 -179.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -113.79 -28.12 7.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -89.41 -13.64 37.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.3 mt -80.08 -35.55 36.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 tp -73.34 -34.58 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' HD2' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -78.94 -37.0 40.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.7 t -79.73 -20.14 47.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.536 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 3.1 t60 -77.4 -63.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.536 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 83.5 mt -43.9 -23.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -79.34 -65.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 32' ' ' ASN . 9.3 t -61.19 -50.54 72.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.187 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.408 ' N ' ' CG2' ' A' ' 31' ' ' THR . 10.4 m-80 -63.39 -41.5 98.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.491 ' CE1' ' CG1' ' A' ' 14' ' ' VAL . 17.1 m-70 -127.25 81.75 69.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.644 0.735 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -48.01 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.03 -13.79 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.9 t -89.92 55.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.7 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.864 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 p -119.33 41.95 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.381 . . . . 0.0 110.847 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.6 m -151.73 176.18 11.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.41 46.52 4.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 t -123.63 79.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 m -159.94 146.42 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.8 149.23 24.53 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -52.29 98.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.8 t -91.72 138.25 31.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -100.74 113.16 25.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.7 m -120.45 148.57 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.0 t -94.21 111.24 52.64 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.53 3.46 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.698 2.266 . . . . 0.0 112.288 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.2 t -99.08 -52.94 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' GLU . 29.7 p -119.79 32.28 6.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' CYS . 24.9 tt0 34.35 39.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -105.93 128.69 53.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.448 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 8.4 t -103.87 169.7 8.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 18' ' ' SER . 30.1 m-85 -145.9 164.74 31.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.8 t -81.19 -47.08 13.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -100.34 163.77 12.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -74.55 -67.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' ASP . 11.0 ptm180 -36.61 -33.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.409 ' HB3' ' CD2' ' A' ' 19' ' ' PHE . 19.5 mt -54.45 -61.55 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 26' ' ' LYS . 2.7 tp -57.98 -24.22 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.469 ' N ' HG23 ' A' ' 25' ' ' ILE . 19.2 mtpp -74.02 -43.53 57.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -77.76 -36.73 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.417 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 12.3 t60 -55.34 -54.86 38.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.32 -14.04 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -77.8 -42.02 35.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 32' ' ' ASN . 9.9 t -93.81 -48.12 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.417 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 7.4 m-80 -60.98 -50.02 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.449 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 3.1 m-70 -121.35 77.64 34.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -50.75 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.337 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.69 26.41 7.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.467 HG23 ' N ' ' A' ' 37' ' ' SER . 6.5 p -130.98 139.98 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.467 ' N ' HG23 ' A' ' 36' ' ' VAL . 29.3 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -96.07 42.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 0.0 110.828 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 4' ' ' GLY . 43.5 t -97.27 83.35 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.76 43.97 0.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 6' ' ' SER . 2.1 m -132.39 100.51 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 5' ' ' SER . 93.6 p 35.65 43.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.35 108.3 0.26 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.3 162.75 19.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.2 p -92.88 159.61 15.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -108.04 124.86 50.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.6 p -120.78 156.44 31.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.8 t -104.76 112.59 65.32 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 2.97 3.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.274 . . . . 0.0 112.39 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.539 HG11 ' CE1' ' A' ' 33' ' ' HIS . 13.0 t -93.96 -52.43 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 16' ' ' GLU . 24.2 p -128.43 37.75 4.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' CYS . 3.6 pm0 33.89 53.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -103.53 128.05 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.6 p -99.28 157.45 16.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CE1' HD13 ' A' ' 25' ' ' ILE . 8.8 m-85 -149.4 161.76 41.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 m -98.39 -42.65 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -87.13 165.81 15.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.28 -20.77 23.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -88.53 -14.22 38.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.5 mt -77.11 -33.58 56.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.556 HD13 ' CE1' ' A' ' 19' ' ' PHE . 3.3 tp -77.07 -48.84 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -63.24 -36.12 82.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 15.4 t -81.51 -18.41 45.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 2.9 t60 -75.72 -59.49 2.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.455 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 69.6 mt -51.18 -40.13 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -59.81 -61.57 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.0 m -66.03 -62.06 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -52.51 -47.41 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.539 ' CE1' HG11 ' A' ' 14' ' ' VAL . 6.9 m-70 -115.63 84.58 12.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 0.0 110.847 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -47.91 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -122.48 -29.49 4.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.25 112.38 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.4 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.875 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -123.22 171.23 9.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.381 . . . . 0.0 110.855 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 m -97.59 146.67 25.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.48 -43.72 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -75.13 73.41 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.844 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -174.87 135.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.07 162.41 35.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.523 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 tpp85 -78.27 133.08 37.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.933 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 m -92.79 155.73 17.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -131.46 121.24 24.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -104.85 138.5 41.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -64.46 134.63 96.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.468 ' CD ' HD11 ' A' ' 29' ' ' ILE . 53.6 Cg_endo -69.79 -35.7 12.08 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.573 ' CG1' ' CE1' ' A' ' 33' ' ' HIS . 93.7 t -78.56 -42.01 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.501 ' O ' ' C ' ' A' ' 16' ' ' GLU . 29.8 p -134.99 81.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.501 ' C ' ' O ' ' A' ' 15' ' ' CYS . 19.2 mt-10 -29.58 94.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.549 ' HG2' ' CE1' ' A' ' 19' ' ' PHE . 32.0 tttt -144.44 124.22 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.9 p -84.07 143.26 29.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.563 ' CD1' HD13 ' A' ' 25' ' ' ILE . 7.0 m-85 -118.71 149.5 41.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t -68.36 -38.64 81.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -103.29 167.87 9.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.7 -22.62 14.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -83.69 -10.62 58.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.4 mt -89.19 -58.35 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.563 HD13 ' CD1' ' A' ' 19' ' ' PHE . 6.6 tp -38.79 -51.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' N ' ' CG2' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -58.58 -43.79 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.8 t -63.71 -49.13 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 2.3 t60 -49.94 -58.71 4.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.469 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 95.9 mt -45.8 -36.55 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -68.33 -61.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.81 -58.73 6.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -54.53 -50.27 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.573 ' CE1' ' CG1' ' A' ' 14' ' ' VAL . 7.5 m-70 -127.61 82.83 67.56 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.29 37.57 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -82.63 18.38 1.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.462 ' CG1' ' CG2' ' A' ' 29' ' ' ILE . 5.1 p -127.69 7.13 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.8 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.804 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -92.68 42.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.895 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -69.67 166.56 18.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 121.83 172.53 14.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 4' ' ' GLY . 7.0 t 36.65 41.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.871 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 m -100.43 81.11 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.32 57.67 0.72 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.2 mtt85 -131.17 -42.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.1 t -105.55 158.9 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.547 ' CZ ' ' OD2' ' A' ' 22' ' ' ASP . 7.4 m-85 -110.29 118.03 35.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.4 t -89.68 139.29 30.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.8 t -79.82 116.87 64.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.22 2.9 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.569 HG11 ' CE1' ' A' ' 33' ' ' HIS . 59.7 t -103.16 -51.41 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 16' ' ' GLU . 7.7 p -117.83 28.12 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' CYS . 28.6 mt-10 33.61 39.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -93.62 174.99 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -137.94 152.05 48.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -139.07 144.8 38.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -70.35 -44.12 68.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.06 169.62 10.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.547 ' OD2' ' CZ ' ' A' ' 10' ' ' TYR . 7.9 t70 -96.28 -11.1 26.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.9 ptt85 -90.98 -27.01 18.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.64 -54.69 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.6 tp -54.29 -36.62 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -68.5 -69.26 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -53.09 -16.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.53 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 23.4 t60 -74.33 -68.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.0 mt -46.51 -33.47 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -53.85 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.454 HG22 ' N ' ' A' ' 32' ' ' ASN . 9.9 t -78.86 -50.09 11.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.53 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 7.9 m-80 -53.99 -53.2 56.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.569 ' CE1' HG11 ' A' ' 14' ' ' VAL . 3.4 m-70 -121.25 82.88 38.72 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.564 0.697 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.46 0.46 Allowed 'Trans proline' 0 C--N 1.34 0.111 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.422 ' C ' HG21 ' A' ' 36' ' ' VAL . 1.3 mm-40 -93.37 46.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.422 HG21 ' C ' ' A' ' 35' ' ' GLU . 3.4 t -151.77 105.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.803 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 t -95.81 147.45 23.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.879 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -104.88 -54.55 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.27 -77.4 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.54 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 t -59.94 130.69 47.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 m -108.0 125.79 51.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.98 133.93 3.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -150.24 164.21 36.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.6 p -95.06 142.54 27.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -107.33 144.18 34.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p -135.69 138.49 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t -76.39 120.53 82.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 6.2 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.5 t -114.76 -62.58 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.8 p -90.02 -25.05 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 74.99 43.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -101.92 141.49 34.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.8 p -104.62 134.06 48.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -123.57 133.14 54.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -58.6 -43.79 89.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -87.07 165.71 15.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -89.16 -32.57 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -72.77 -39.35 66.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.5 mt -50.23 -57.33 8.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.9 tp -60.64 -47.8 91.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -51.26 -64.68 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -60.55 -42.16 95.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -47.47 -50.97 21.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.8 mt -54.99 -40.11 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -68.35 -51.48 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.8 m -65.7 -62.22 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -60.31 -46.07 91.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -117.44 77.39 10.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.711 . . . . 0.0 110.836 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -50.59 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.46 -30.02 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.0 p -75.04 5.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.868 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.8 p -171.33 143.53 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 110.903 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -87.88 117.44 26.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.02 -73.32 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m -91.65 -52.57 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.347 . . . . 0.0 110.825 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 p -58.38 141.08 52.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.52 -169.18 28.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.516 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 14.4 mtp-105 -99.99 96.23 7.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 t -117.61 175.75 5.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -83.76 136.7 34.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 p -125.89 121.92 34.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.9 t -64.31 117.26 35.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.707 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -2.17 9.75 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.319 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.539 HG13 ' CE1' ' A' ' 33' ' ' HIS . 47.2 t -94.67 -62.94 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 17' ' ' LYS . 26.8 p -108.35 30.2 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER 35.21 32.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 15' ' ' CYS . 2.7 ttmp? -101.32 125.49 47.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.7 p -106.46 154.04 21.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -128.71 139.5 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.2 t -52.64 -50.53 62.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -83.31 156.12 23.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -83.15 -38.41 22.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -67.18 -30.32 70.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.3 mt -65.75 -60.67 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 26' ' ' LYS . 4.0 tp -47.53 -38.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.405 ' N ' HG22 ' A' ' 25' ' ' ILE . 37.9 mttp -63.74 -57.05 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.2 t -57.24 -47.2 81.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.494 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 6.0 t60 -45.3 -60.89 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.5 mt -43.09 -40.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -62.2 -62.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.4 m -62.59 -59.87 4.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.494 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 5.5 m-80 -55.01 -49.39 71.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.539 ' CE1' HG13 ' A' ' 14' ' ' VAL . 5.2 m-70 -120.32 81.91 30.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 0.0 110.925 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -45.68 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.648 2.232 . . . . 0.0 112.338 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -121.3 -27.06 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.1 t -81.37 61.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.1 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.892 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -100.31 167.14 10.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.898 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -138.57 140.56 39.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.08 -61.36 0.52 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 m -104.99 118.25 36.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p 40.24 36.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.99 -91.86 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.411 ' HD3' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -44.42 147.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.851 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.2 m -114.52 157.81 22.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -78.22 115.51 18.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.3 m -97.17 153.42 18.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.3 t -95.96 104.25 16.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.14 3.79 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.465 HG11 ' CE1' ' A' ' 33' ' ' HIS . 57.3 t -93.47 -54.9 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 16' ' ' GLU . 20.3 p -116.01 32.51 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 15' ' ' CYS . 19.1 tt0 37.47 49.97 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.819 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -105.59 176.52 5.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.4 t -135.63 152.79 51.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -150.77 122.31 7.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.9 m -84.81 28.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -154.09 155.53 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -84.19 -36.36 22.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -69.83 -39.4 76.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.16 -51.57 67.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.9 tp -62.22 -43.77 98.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -60.28 -52.87 63.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.4 t -64.7 -43.26 94.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -50.26 -70.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.423 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 86.1 mt -47.24 -39.13 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -66.78 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.7 m -78.2 -57.95 3.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -44.12 -43.56 7.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.465 ' CE1' HG11 ' A' ' 14' ' ' VAL . 3.9 m-70 -132.39 89.48 36.57 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.576 0.703 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 -50.3 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -125.6 -30.26 3.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.4 t -65.53 103.45 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.837 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -138.9 152.21 47.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -100.85 -57.15 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.09 81.58 1.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -71.12 -36.75 72.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.938 0.399 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 t 57.51 46.79 17.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.52 -110.71 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -131.98 42.4 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.0 m -126.98 165.24 19.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -109.05 123.15 48.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.1 p -129.4 143.85 51.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -83.77 115.83 61.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.639 0.733 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 2.6 3.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.615 ' CG1' ' CE1' ' A' ' 33' ' ' HIS . 46.3 t -96.96 -46.79 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 16' ' ' GLU . 21.1 p -131.81 32.77 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 15' ' ' CYS . 41.5 tt0 33.88 54.84 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.405 ' HG2' ' CE1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -98.4 126.5 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.8 p -106.88 141.34 38.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.405 ' CE1' ' HG2' ' A' ' 17' ' ' LYS . 85.0 m-85 -135.59 165.36 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.2 t -86.33 -45.56 11.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' OE1' ' NH1' ' A' ' 23' ' ' ARG . 21.4 mm-40 -96.14 173.88 7.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -91.79 -47.49 7.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' NH1' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -52.65 -20.38 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.6 mt -78.44 -59.02 2.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 26' ' ' LYS . 3.0 tp -55.34 -35.7 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.46 ' N ' HG22 ' A' ' 25' ' ' ILE . 17.6 mtmt -69.76 -49.78 49.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 94.6 p -59.75 -43.57 94.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.59 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 5.7 t60 -51.89 -70.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.59 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 86.7 mt -34.82 -47.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -58.54 -58.72 7.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.4 m -66.47 -62.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.476 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 3.0 m-80 -53.54 -48.6 68.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.615 ' CE1' ' CG1' ' A' ' 14' ' ' VAL . 23.6 m-70 -120.77 82.83 35.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.623 0.725 . . . . 0.0 110.817 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -43.67 2.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.11 -25.49 4.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.1 t -83.6 55.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.9 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.872 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.7 p -156.22 170.82 21.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 t -76.17 -52.74 9.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.12 -110.79 0.53 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 m -119.21 42.27 2.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.8 m -107.17 144.04 34.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.27 -166.64 19.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -51.98 110.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.8 p -101.04 142.23 32.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -84.62 123.63 30.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.0 p -124.08 124.27 42.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -59.49 109.97 2.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 1.37 4.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.445 HG11 ' CE1' ' A' ' 33' ' ' HIS . 57.9 t -92.5 -49.72 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' GLU . 28.0 p -128.39 38.02 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' CYS . 29.1 tp10 35.19 53.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -91.21 158.51 16.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.1 t -133.71 152.69 51.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.555 ' CE1' HD11 ' A' ' 25' ' ' ILE . 95.3 m-85 -149.47 161.82 41.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 t -94.13 -31.04 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -102.86 168.09 9.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -87.5 -47.68 8.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -18.63 65.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 mt -73.4 -49.25 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.555 HD11 ' CE1' ' A' ' 19' ' ' PHE . 5.8 tp -61.86 -29.16 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' N ' HG21 ' A' ' 25' ' ' ILE . 55.3 mttm -72.02 -41.95 66.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -67.34 -40.17 85.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.585 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 19.9 t60 -53.37 -74.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.494 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 87.2 mt -34.81 -32.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -72.47 -60.31 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.28 -51.65 50.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.585 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 3.1 m-80 -61.84 -46.77 88.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.445 ' CE1' HG11 ' A' ' 14' ' ' VAL . 47.9 m-70 -122.58 79.96 47.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 110.821 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -47.54 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.24 . . . . 0.0 112.308 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -128.1 31.72 5.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 t -131.07 61.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.851 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -58.68 154.73 13.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -124.85 -47.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.51 61.31 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -46.85 -45.56 20.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.835 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 p -119.51 83.67 2.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.98 -172.73 32.65 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -119.06 110.75 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t -111.32 168.01 9.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -116.9 106.22 13.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.5 p -114.6 113.03 23.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.6 t -59.36 111.61 4.02 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.629 0.728 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 1.71 4.17 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.498 HG11 ' CG ' ' A' ' 33' ' ' HIS . 44.3 t -95.85 -55.39 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' GLU . 27.0 p -118.96 32.06 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.835 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' CYS . 6.9 mt-10 34.45 41.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.51 ' HG2' ' CE1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -104.0 125.61 50.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.9 t -92.63 160.35 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.51 ' CE1' ' HG2' ' A' ' 17' ' ' LYS . 64.3 m-85 -147.56 134.09 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -84.68 19.96 1.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -138.18 160.06 40.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -92.82 -34.01 14.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.1 ptt85 -80.47 -30.7 37.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.0 mt -67.56 -46.75 71.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.6 tp -63.53 -47.6 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -58.13 -56.55 20.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.5 m -62.12 -47.31 85.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 5.0 t60 -46.7 -62.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.463 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 83.0 mt -43.59 -34.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -71.58 -66.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.3 t -51.06 -50.13 59.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -72.76 -41.53 64.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.498 ' CG ' HG11 ' A' ' 14' ' ' VAL . 2.8 m-70 -126.18 84.05 62.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.699 . . . . 0.0 110.831 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.468 ' CD ' ' C ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -133.42 39.51 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.413 ' CG2' ' OE2' ' A' ' 35' ' ' GLU . 4.3 t -125.12 60.21 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.828 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -111.99 43.27 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.855 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t 68.44 42.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.37 89.2 0.55 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -138.13 142.06 40.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 110.839 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 t -57.18 106.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.7 114.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.444 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -54.14 175.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.1 p -91.05 158.47 16.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.556 ' CE1' ' OD2' ' A' ' 22' ' ' ASP . 10.1 m-85 -108.51 120.47 42.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.1 m -133.63 143.47 48.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' N ' HD13 ' A' ' 25' ' ' ILE . 36.0 t -77.13 114.95 44.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.57 3.44 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.6 t -96.8 -55.36 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 16' ' ' GLU . 15.4 p -120.15 36.23 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' CYS . 46.7 mt-10 33.97 52.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -94.78 169.7 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.0 p -137.48 136.51 37.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.403 ' CD2' ' HB3' ' A' ' 24' ' ' LEU . 78.0 m-85 -130.0 165.61 21.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -89.33 -43.4 10.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -107.64 168.43 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.556 ' OD2' ' CE1' ' A' ' 10' ' ' TYR . 5.2 m-20 -82.79 -39.06 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.416 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 0.8 OUTLIER -60.3 -16.26 32.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.888 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.403 ' HB3' ' CD2' ' A' ' 19' ' ' PHE . 59.1 mt -85.64 -45.73 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 26' ' ' LYS . 3.9 tp -61.39 -23.71 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.447 ' N ' HG21 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -86.83 -38.6 16.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.428 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 98.4 p -74.28 -26.51 60.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.411 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 7.6 t60 -67.89 -60.19 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 33' ' ' HIS . 96.9 mt -48.51 -39.74 10.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -56.22 -61.3 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.4 m -68.78 -57.93 4.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.411 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 6.9 m-80 -54.47 -50.81 66.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 29' ' ' ILE . 3.3 m-70 -121.83 82.39 42.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.639 0.733 . . . . 0.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -51.49 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -109.79 -37.56 5.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.5 p -75.42 151.62 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.9 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.869 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 m -128.39 -47.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -87.14 42.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.93 62.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.8 p -105.25 42.67 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t 59.09 43.88 16.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.69 -47.28 5.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -47.59 -30.05 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.7 m -81.6 143.25 32.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -112.51 125.44 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 p -85.81 134.89 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -83.51 114.62 54.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.727 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 2.8 3.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.557 HG11 ' CE1' ' A' ' 33' ' ' HIS . 76.4 t -99.75 -54.12 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 16' ' ' GLU . 19.4 p -119.29 33.3 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 15' ' ' CYS . 36.8 mt-10 34.14 36.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 15' ' ' CYS . 20.6 ttmt -107.91 122.4 46.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.7 p -101.88 142.56 33.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -119.72 137.14 54.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 t -61.11 -41.42 96.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.94 175.09 7.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -109.02 -23.16 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -89.16 -39.3 13.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.1 mt -56.2 -45.02 80.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.9 tp -62.39 -36.48 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -70.35 -56.13 7.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.0 p -61.4 -40.26 93.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.608 ' HD1' ' ND2' ' A' ' 32' ' ' ASN . 9.3 t60 -51.96 -65.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' HIS . 68.0 mt -37.08 -28.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' HIS . 14.5 ttmm -78.72 -66.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 t -56.79 -49.4 75.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.608 ' ND2' ' HD1' ' A' ' 28' ' ' HIS . 4.8 m-80 -66.91 -45.01 79.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.557 ' CE1' HG11 ' A' ' 14' ' ' VAL . 14.6 m-70 -124.1 82.4 56.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -50.63 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.401 ' O ' ' CD ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -128.39 40.94 3.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.6 t -133.93 53.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 93.3 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 -179.821 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -95.33 129.97 42.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.883 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 p -53.21 106.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.31 -85.32 0.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -47.02 174.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -107.92 42.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.39 115.18 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -57.42 -38.45 74.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 8' ' ' ARG . 46.8 m -98.37 161.16 13.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -80.05 107.28 12.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -134.5 136.2 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.88 118.49 65.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.85 2.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -104.97 -57.72 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 14.1 p -97.33 -14.37 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 65.93 49.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.3 OUTLIER -114.51 147.27 39.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -99.8 151.91 20.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.482 ' CD1' HD12 ' A' ' 25' ' ' ILE . 6.9 m-85 -134.53 165.33 25.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -93.46 -43.27 8.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -107.3 147.21 30.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.64 -40.16 84.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -57.96 -39.24 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.59 -58.81 5.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.482 HD12 ' CD1' ' A' ' 19' ' ' PHE . 2.2 tp -55.93 -37.81 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -61.86 -62.13 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.1 t -58.65 -41.21 85.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -46.48 -50.85 16.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.51 -37.95 76.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -65.83 -52.25 52.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.5 m -74.35 -60.66 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.131 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -55.82 -49.0 74.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -111.72 78.81 2.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.518 0.675 . . . . 0.0 110.822 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -51.15 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 36' ' ' VAL . 18.3 pt-20 -111.93 -36.22 5.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 3.5 p -67.6 139.37 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.877 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.876 0.37 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.8 m -103.78 156.98 17.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -101.19 98.82 9.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.08 2.98 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.29 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.67 HG11 ' CG ' ' A' ' 33' ' ' HIS . 42.3 t -93.28 -50.35 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 p -122.87 27.06 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 40.3 40.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HE3' ' CZ ' ' A' ' 19' ' ' PHE . 12.0 ttpp -108.24 153.45 23.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 m -117.46 160.36 21.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.451 ' CZ ' ' HE3' ' A' ' 17' ' ' LYS . 68.7 m-85 -138.25 163.19 32.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 m -87.31 -44.27 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.508 ' HB2' HD12 ' A' ' 24' ' ' LEU . 7.3 mt-10 -90.38 170.29 10.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.47 -20.21 17.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -89.57 -17.02 29.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.508 HD12 ' HB2' ' A' ' 21' ' ' GLU . 18.7 mt -73.97 -44.44 54.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 tp -62.57 -33.56 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -67.98 -52.56 34.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.4 t -67.75 -40.11 84.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' ASN . 19.7 t60 -51.46 -61.4 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.3 mt -54.15 -42.04 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -55.68 -57.73 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.81 -61.91 1.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 28' ' ' HIS . 14.3 m120 -51.42 -50.1 60.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.67 ' CG ' HG11 ' A' ' 14' ' ' VAL . 22.5 m-70 -109.66 80.59 1.66 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -47.23 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.915 0.388 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -102.29 134.88 44.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 16' ' ' GLU . 4.0 t -75.72 119.55 77.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 0.44 5.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.614 2.209 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.421 ' HB ' ' NE2' ' A' ' 33' ' ' HIS . 16.0 t -102.81 -47.49 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 16' ' ' GLU . 22.8 p -122.23 24.5 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 15' ' ' CYS . 8.4 tt0 34.77 43.73 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -105.4 123.57 48.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p -88.55 158.36 18.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -137.42 129.62 29.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -48.54 -40.97 28.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -106.63 168.62 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -95.54 -28.61 14.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -69.09 -28.35 66.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.5 mt -71.12 -63.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.2 tp -41.9 -37.49 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -64.89 -43.29 93.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 m -73.17 -38.53 66.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.424 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 7.2 t60 -54.39 -59.93 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' HIS . 65.5 mt -45.1 -44.17 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -61.66 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.6 m -65.92 -62.0 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.424 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 9.7 m120 -55.39 -48.46 74.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' ILE . 12.1 m-70 -113.54 79.53 4.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.576 0.703 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.18 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.935 0.398 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 t -118.27 132.83 56.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.466 ' N ' HD11 ' A' ' 25' ' ' ILE . 49.2 t -71.37 117.66 58.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.732 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 2.65 3.31 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.728 2.286 . . . . 0.0 112.364 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.8 t -97.71 -55.88 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 16' ' ' GLU . 17.7 p -120.83 32.76 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 15' ' ' CYS . 4.4 tp10 34.01 48.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -83.35 160.11 21.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -125.84 148.35 49.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CD2' ' HB3' ' A' ' 24' ' ' LEU . 72.2 m-85 -148.17 163.24 37.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.1 t -93.31 -36.5 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -110.19 168.25 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.494 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -87.13 -24.73 24.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -71.58 -16.31 62.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.513 ' HB3' ' CD2' ' A' ' 19' ' ' PHE . 45.8 mt -85.54 -48.07 9.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.494 HG22 ' O ' ' A' ' 22' ' ' ASP . 2.5 tp -58.78 -25.51 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 27' ' ' SER . 15.6 ptmt -84.98 -40.79 16.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 73.1 p -70.18 -28.0 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.551 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 8.7 t60 -66.5 -69.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.489 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 87.6 mt -35.22 -45.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -58.68 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.1 m -69.43 -61.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.551 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 3.2 m-80 -55.13 -44.39 75.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ILE . 9.2 m-70 -117.64 82.33 15.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.71 . . . . 0.0 110.808 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.18 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.888 0.375 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -119.48 141.6 49.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.8 t -77.57 115.01 46.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.9 3.11 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.686 2.258 . . . . 0.0 112.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.1 t -101.42 -54.63 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 16' ' ' GLU . 22.3 p -110.81 29.85 7.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 15' ' ' CYS . 34.5 tt0 34.07 45.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -98.07 168.17 10.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.0 m -137.03 141.14 42.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -130.44 164.93 23.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 t -92.44 -43.87 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -98.34 165.05 12.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.0 -29.01 21.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -72.72 -26.39 61.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.9 mt -75.67 -48.39 22.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 26' ' ' LYS . 1.7 tp -65.71 -43.81 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' N ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -64.69 -38.39 90.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.447 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 28.5 m -76.87 -21.08 55.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.511 ' CD2' ' CG ' ' A' ' 32' ' ' ASN . 1.6 t-80 -72.24 -63.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.445 HG23 ' HD2' ' A' ' 33' ' ' HIS . 45.6 mt -50.62 -23.41 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -66.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.2 t -80.91 -34.77 33.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.511 ' CG ' ' CD2' ' A' ' 28' ' ' HIS . 5.7 m-80 -61.91 -54.09 46.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.445 ' HD2' HG23 ' A' ' 29' ' ' ILE . 3.9 m-70 -126.54 81.05 68.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -49.9 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.257 . . . . 0.0 112.364 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.539 ' CB ' HG21 ' A' ' 25' ' ' ILE . 12.5 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.944 0.402 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.2 m -115.16 122.8 47.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.4 ' CA ' HD11 ' A' ' 25' ' ' ILE . 46.5 t -58.37 135.1 85.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -39.39 6.51 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.531 HG11 ' CE1' ' A' ' 33' ' ' HIS . 82.6 t -74.33 -46.83 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.488 ' O ' ' C ' ' A' ' 16' ' ' GLU . 29.9 p -130.04 79.0 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 15' ' ' CYS . 27.5 mt-10 -30.35 94.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 15' ' ' CYS . 22.2 ttmt -144.5 125.31 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.4 p -85.83 124.21 32.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -99.47 130.73 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -42.21 -44.44 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.521 ' HB2' HD12 ' A' ' 24' ' ' LEU . 73.8 mt-10 -102.61 163.18 12.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.866 ' O ' HG22 ' A' ' 25' ' ' ILE . 16.8 p-10 -85.01 -47.06 10.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -23.22 64.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 21' ' ' GLU . 34.2 mt -65.57 -55.21 18.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.866 HG22 ' O ' ' A' ' 22' ' ' ASP . 3.2 tp -51.87 -30.64 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -69.01 -54.8 13.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 m -64.52 -36.75 85.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' ASN . 10.4 t60 -52.84 -60.7 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.0 mt -53.92 -40.69 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -55.29 -53.73 52.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.2 m -83.19 -62.01 1.7 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' HIS . 16.1 m120 -43.84 -45.16 7.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.531 ' CE1' HG11 ' A' ' 14' ' ' VAL . 32.9 m-70 -127.25 88.72 53.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.587 0.708 . . . . 0.0 110.833 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' A' ' 35' ' ' GLU . 1.3 pm0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.502 ' CZ ' ' OD2' ' A' ' 22' ' ' ASP . 23.6 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.889 0.376 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -115.34 131.07 57.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.487 ' CA ' HD11 ' A' ' 25' ' ' ILE . 6.0 t -67.9 118.09 54.7 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 2.88 3.1 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.385 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.1 -65.63 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 p -88.49 -5.36 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 61.48 46.26 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -92.96 179.55 5.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.6 p -137.0 123.59 20.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -125.07 163.47 22.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.7 p -97.67 -47.06 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.415 ' HB2' HD12 ' A' ' 24' ' ' LEU . 6.3 mm-40 -88.32 166.8 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.503 ' O ' HG22 ' A' ' 25' ' ' ILE . 1.3 m-20 -86.65 -40.17 15.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -59.26 -34.42 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 21' ' ' GLU . 39.5 mt -59.09 -60.52 3.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 22' ' ' ASP . 5.4 tp -57.81 -26.78 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -73.1 -60.83 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.3 t -61.2 -39.01 88.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -51.27 -66.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.462 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 74.8 mt -47.12 -40.16 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.86 -66.57 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.8 m -69.94 -56.85 5.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -53.48 -47.74 69.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.462 ' CD2' ' HA ' ' A' ' 29' ' ' ILE . 10.2 m-70 -117.96 81.96 16.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -51.64 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.629 2.219 . . . . 0.0 112.326 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.876 0.37 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 p -120.75 143.8 48.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.7 t -90.04 112.53 52.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 0.37 5.71 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.731 2.287 . . . . 0.0 112.365 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.554 HG11 ' CE1' ' A' ' 33' ' ' HIS . 63.5 t -92.89 -60.77 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' GLU . 26.2 p -114.86 34.01 5.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' CYS . 10.3 pt-20 34.23 45.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -109.75 125.07 52.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.4 t -104.81 156.82 17.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -143.76 108.24 4.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -44.46 -38.42 4.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.654 ' HB2' HD12 ' A' ' 24' ' ' LEU . 1.5 mp0 -69.33 -179.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -113.79 -28.12 7.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -89.41 -13.64 37.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.654 HD12 ' HB2' ' A' ' 21' ' ' GLU . 31.3 mt -80.08 -35.55 36.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 tp -73.34 -34.58 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -78.94 -37.0 40.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.7 t -79.73 -20.14 47.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.536 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 3.1 t60 -77.4 -63.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.536 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 83.5 mt -43.9 -23.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -79.34 -65.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.579 HG23 ' N ' ' A' ' 32' ' ' ASN . 9.3 t -61.19 -50.54 72.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.187 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.579 ' N ' HG23 ' A' ' 31' ' ' THR . 6.6 m120 -63.39 -41.5 98.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.554 ' CE1' HG11 ' A' ' 14' ' ' VAL . 17.1 m-70 -127.25 81.75 69.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.644 0.735 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -48.01 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.912 0.386 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.7 m -120.45 148.57 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.475 ' HB2' HD11 ' A' ' 25' ' ' ILE . 6.0 t -94.21 111.24 52.64 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.6 Cg_endo -69.78 2.53 3.46 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.698 2.266 . . . . 0.0 112.288 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.2 t -99.08 -52.94 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' GLU . 29.7 p -119.79 32.28 6.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' CYS . 24.9 tt0 34.35 39.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -105.93 128.69 53.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.448 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 8.4 t -103.87 169.7 8.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 18' ' ' SER . 30.1 m-85 -145.9 164.74 31.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.8 t -81.19 -47.08 13.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.711 ' H ' HD12 ' A' ' 24' ' ' LEU . 6.4 mm-40 -100.34 163.77 12.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.64 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -74.55 -67.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' ASP . 11.0 ptm180 -36.61 -33.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.711 HD12 ' H ' ' A' ' 21' ' ' GLU . 19.5 mt -54.45 -61.55 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 22' ' ' ASP . 2.7 tp -57.98 -24.22 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -74.02 -43.53 57.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -77.76 -36.73 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.417 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 12.3 t60 -55.34 -54.86 38.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.446 ' O ' HG22 ' A' ' 29' ' ' ILE . 77.4 mt -62.32 -14.04 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -77.8 -42.02 35.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 32' ' ' ASN . 9.9 t -93.81 -48.12 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.539 ' N ' HG23 ' A' ' 31' ' ' THR . 7.4 m120 -60.98 -50.02 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -121.35 77.64 34.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -50.75 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.337 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.899 0.381 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.6 p -120.78 156.44 31.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 51.8 t -104.76 112.59 65.32 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.0 Cg_endo -69.72 2.97 3.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.274 . . . . 0.0 112.39 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 t -93.96 -52.43 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 16' ' ' GLU . 24.2 p -128.43 37.75 4.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' CYS . 3.6 pm0 33.89 53.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -103.53 128.05 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.6 p -99.28 157.45 16.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.721 ' CE1' HD12 ' A' ' 25' ' ' ILE . 8.8 m-85 -149.4 161.76 41.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 m -98.39 -42.65 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -87.13 165.81 15.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.28 -20.77 23.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -88.53 -14.22 38.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.5 mt -77.11 -33.58 56.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.721 HD12 ' CE1' ' A' ' 19' ' ' PHE . 3.3 tp -77.07 -48.84 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.575 ' N ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -63.24 -36.12 82.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 15.4 t -81.51 -18.41 45.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 2.9 t60 -75.72 -59.49 2.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.513 HG23 ' HD2' ' A' ' 33' ' ' HIS . 69.6 mt -51.18 -40.13 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -59.81 -61.57 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.0 m -66.03 -62.06 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -52.51 -47.41 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.513 ' HD2' HG23 ' A' ' 29' ' ' ILE . 6.9 m-70 -115.63 84.58 12.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 0.0 110.847 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -47.91 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.913 0.387 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -104.85 138.5 41.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -64.46 134.63 96.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -35.7 12.08 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.328 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.701 HG11 ' CE1' ' A' ' 33' ' ' HIS . 93.7 t -78.56 -42.01 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.501 ' O ' ' C ' ' A' ' 16' ' ' GLU . 29.8 p -134.99 81.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.501 ' C ' ' O ' ' A' ' 15' ' ' CYS . 19.2 mt-10 -29.58 94.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.548 ' HG2' ' CE1' ' A' ' 19' ' ' PHE . 32.0 tttt -144.44 124.22 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.9 p -84.07 143.26 29.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CE1' ' HG2' ' A' ' 17' ' ' LYS . 7.0 m-85 -118.71 149.5 41.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t -68.36 -38.64 81.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -103.29 167.87 9.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.7 -22.62 14.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -83.69 -10.62 58.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.4 mt -89.19 -58.35 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.595 HG23 ' N ' ' A' ' 26' ' ' LYS . 6.6 tp -38.79 -51.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.595 ' N ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -58.58 -43.79 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.8 t -63.71 -49.13 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 2.3 t60 -49.94 -58.71 4.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.469 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 95.9 mt -45.8 -36.55 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -68.33 -61.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.81 -58.73 6.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -54.53 -50.27 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.701 ' CE1' HG11 ' A' ' 14' ' ' VAL . 7.5 m-70 -127.61 82.83 67.56 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.29 37.57 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.547 ' CZ ' ' OD2' ' A' ' 22' ' ' ASP . 7.4 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.4 t -89.68 139.29 30.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.8 t -79.82 116.87 64.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.22 2.9 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.535 HG11 ' CG ' ' A' ' 33' ' ' HIS . 59.7 t -103.16 -51.41 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 16' ' ' GLU . 7.7 p -117.83 28.12 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' CYS . 28.6 mt-10 33.61 39.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -93.62 174.99 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -137.94 152.05 48.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -139.07 144.8 38.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -70.35 -44.12 68.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.06 169.62 10.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.547 ' OD2' ' CZ ' ' A' ' 10' ' ' TYR . 7.9 t70 -96.28 -11.1 26.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.9 ptt85 -90.98 -27.01 18.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.64 -54.69 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.6 tp -54.29 -36.62 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -68.5 -69.26 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -53.09 -16.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.53 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 23.4 t60 -74.33 -68.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.0 mt -46.51 -33.47 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -53.85 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.569 HG23 ' N ' ' A' ' 32' ' ' ASN . 9.9 t -78.86 -50.09 11.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.569 ' N ' HG23 ' A' ' 31' ' ' THR . 7.8 m120 -53.99 -53.2 56.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.535 ' CG ' HG11 ' A' ' 14' ' ' VAL . 3.4 m-70 -121.25 82.88 38.72 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.564 0.697 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.46 0.46 Allowed 'Trans proline' 0 C--N 1.34 0.111 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.884 0.374 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p -135.69 138.49 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t -76.39 120.53 82.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 6.2 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.5 t -114.76 -62.58 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.8 p -90.02 -25.05 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 74.99 43.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -101.92 141.49 34.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.8 p -104.62 134.06 48.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -123.57 133.14 54.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -58.6 -43.79 89.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -87.07 165.71 15.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -89.16 -32.57 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -72.77 -39.35 66.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.5 mt -50.23 -57.33 8.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.524 HG23 ' N ' ' A' ' 26' ' ' LYS . 1.9 tp -60.64 -47.8 91.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.524 ' N ' HG23 ' A' ' 25' ' ' ILE . 2.0 mmmm -51.26 -64.68 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -60.55 -42.16 95.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -47.47 -50.97 21.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.8 mt -54.99 -40.11 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -68.35 -51.48 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.8 m -65.7 -62.22 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -60.31 -46.07 91.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -117.44 77.39 10.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.711 . . . . 0.0 110.836 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -50.59 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.899 0.38 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 p -125.89 121.92 34.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.9 t -64.31 117.26 35.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.707 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -2.17 9.75 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.319 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.2 t -94.67 -62.94 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 17' ' ' LYS . 26.8 p -108.35 30.2 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER 35.21 32.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 15' ' ' CYS . 2.7 ttmp? -101.32 125.49 47.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.7 p -106.46 154.04 21.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -128.71 139.5 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.2 t -52.64 -50.53 62.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.546 ' HB2' HD12 ' A' ' 24' ' ' LEU . 27.0 mt-10 -83.31 156.12 23.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -83.15 -38.41 22.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -67.18 -30.32 70.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.546 HD12 ' HB2' ' A' ' 21' ' ' GLU . 45.3 mt -65.75 -60.67 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.0 tp -47.53 -38.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -63.74 -57.05 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.2 t -57.24 -47.2 81.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.494 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 6.0 t60 -45.3 -60.89 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.5 mt -43.09 -40.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -62.2 -62.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.4 m -62.59 -59.87 4.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.494 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 4.8 m120 -55.01 -49.39 71.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -120.32 81.91 30.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -45.68 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.648 2.232 . . . . 0.0 112.338 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.869 0.366 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.3 m -97.17 153.42 18.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 11.3 t -95.96 104.25 16.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.9 Cg_endo -69.74 2.14 3.79 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -93.47 -54.9 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 16' ' ' GLU . 20.3 p -116.01 32.51 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 15' ' ' CYS . 19.1 tt0 37.47 49.97 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.819 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -105.59 176.52 5.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.4 t -135.63 152.79 51.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -150.77 122.31 7.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.9 m -84.81 28.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -154.09 155.53 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -84.19 -36.36 22.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -69.83 -39.4 76.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.16 -51.57 67.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 26' ' ' LYS . 3.9 tp -62.22 -43.77 98.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.433 ' N ' HG23 ' A' ' 25' ' ' ILE . 29.4 mmtt -60.28 -52.87 63.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.4 t -64.7 -43.26 94.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -50.26 -70.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.424 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 86.1 mt -47.24 -39.13 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -66.78 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.7 m -78.2 -57.95 3.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -44.12 -43.56 7.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 29' ' ' ILE . 3.9 m-70 -132.39 89.48 36.57 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.576 0.703 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 33' ' ' HIS . 53.0 Cg_endo -69.83 -50.3 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.895 0.379 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.1 p -129.4 143.85 51.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -83.77 115.83 61.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.639 0.733 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 2.6 3.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.724 HG11 ' CE1' ' A' ' 33' ' ' HIS . 46.3 t -96.96 -46.79 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 16' ' ' GLU . 21.1 p -131.81 32.77 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 15' ' ' CYS . 41.5 tt0 33.88 54.84 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HG2' ' CE1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -98.4 126.5 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.8 p -106.88 141.34 38.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.426 ' CE1' ' HG2' ' A' ' 17' ' ' LYS . 85.0 m-85 -135.59 165.36 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.2 t -86.33 -45.56 11.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.41 ' OE1' ' NH1' ' A' ' 23' ' ' ARG . 21.4 mm-40 -96.14 173.88 7.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.427 ' O ' HG22 ' A' ' 25' ' ' ILE . 20.2 t0 -91.79 -47.49 7.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' NH1' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -52.65 -20.38 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.6 mt -78.44 -59.02 2.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 22' ' ' ASP . 3.0 tp -55.34 -35.7 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -69.76 -49.78 49.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 94.6 p -59.75 -43.57 94.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.59 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 5.7 t60 -51.89 -70.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.59 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 86.7 mt -34.82 -47.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -58.54 -58.72 7.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.4 m -66.47 -62.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.476 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 3.0 m-80 -53.54 -48.6 68.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.724 ' CE1' HG11 ' A' ' 14' ' ' VAL . 23.6 m-70 -120.77 82.83 35.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.623 0.725 . . . . 0.0 110.817 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -43.67 2.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.488 ' CB ' HG21 ' A' ' 25' ' ' ILE . 47.0 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.879 0.371 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.0 p -124.08 124.27 42.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -59.49 109.97 2.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 1.37 4.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -92.5 -49.72 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' GLU . 28.0 p -128.39 38.02 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' CYS . 29.1 tp10 35.19 53.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -91.21 158.51 16.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.1 t -133.71 152.69 51.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CE1' HD12 ' A' ' 25' ' ' ILE . 95.3 m-85 -149.47 161.82 41.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 t -94.13 -31.04 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -102.86 168.09 9.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.64 ' O ' HG22 ' A' ' 25' ' ' ILE . 13.4 t0 -87.5 -47.68 8.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -18.63 65.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 mt -73.4 -49.25 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 22' ' ' ASP . 5.8 tp -61.86 -29.16 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -72.02 -41.95 66.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -67.34 -40.17 85.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.585 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 19.9 t60 -53.37 -74.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.494 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 87.2 mt -34.81 -32.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -72.47 -60.31 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.437 HG23 ' NZ ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -67.28 -51.65 50.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.585 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 3.1 m-80 -61.84 -46.77 88.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -122.58 79.96 47.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 110.821 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -47.54 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.24 . . . . 0.0 112.308 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.894 0.378 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.5 p -114.6 113.03 23.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 35.6 t -59.36 111.61 4.02 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.629 0.728 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.3 Cg_endo -69.74 1.71 4.17 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.492 HG11 ' CG ' ' A' ' 33' ' ' HIS . 44.3 t -95.85 -55.39 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' GLU . 27.0 p -118.96 32.06 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.835 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' CYS . 6.9 mt-10 34.45 41.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.511 ' HG2' ' CE1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -104.0 125.61 50.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.9 t -92.63 160.35 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.511 ' CE1' ' HG2' ' A' ' 17' ' ' LYS . 64.3 m-85 -147.56 134.09 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -84.68 19.96 1.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.618 ' HB2' HD12 ' A' ' 24' ' ' LEU . 5.5 mm-40 -138.18 160.06 40.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -92.82 -34.01 14.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.1 ptt85 -80.47 -30.7 37.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' A' ' 21' ' ' GLU . 40.0 mt -67.56 -46.75 71.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.514 HG23 ' N ' ' A' ' 26' ' ' LYS . 2.6 tp -63.53 -47.6 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.514 ' N ' HG23 ' A' ' 25' ' ' ILE . 2.7 mmpt? -58.13 -56.55 20.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.5 m -62.12 -47.31 85.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 5.0 t60 -46.7 -62.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.463 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 83.0 mt -43.59 -34.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -71.58 -66.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 32' ' ' ASN . 4.3 t -51.06 -50.13 59.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.506 ' N ' HG23 ' A' ' 31' ' ' THR . 4.9 m120 -72.76 -41.53 64.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.492 ' CG ' HG11 ' A' ' 14' ' ' VAL . 2.8 m-70 -126.18 84.05 62.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.699 . . . . 0.0 110.831 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.468 ' CD ' ' C ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.556 ' CE1' ' OD2' ' A' ' 22' ' ' ASP . 10.1 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.86 0.362 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.1 m -133.63 143.47 48.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.423 ' N ' HD11 ' A' ' 25' ' ' ILE . 36.0 t -77.13 114.95 44.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.57 3.44 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.406 ' HB ' ' CE1' ' A' ' 33' ' ' HIS . 20.6 t -96.8 -55.36 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 16' ' ' GLU . 15.4 p -120.15 36.23 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' CYS . 46.7 mt-10 33.97 52.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -94.78 169.7 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.0 p -137.48 136.51 37.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 24' ' ' LEU . 78.0 m-85 -130.0 165.61 21.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -89.33 -43.4 10.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -107.64 168.43 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.717 ' O ' HG22 ' A' ' 25' ' ' ILE . 5.2 m-20 -82.79 -39.06 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.408 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 0.8 OUTLIER -60.3 -16.26 32.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.888 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.423 ' HB3' ' CD2' ' A' ' 19' ' ' PHE . 59.1 mt -85.64 -45.73 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 22' ' ' ASP . 3.9 tp -61.39 -23.71 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -86.83 -38.6 16.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.439 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 98.4 p -74.28 -26.51 60.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.411 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 7.6 t60 -67.89 -60.19 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.9 mt -48.51 -39.74 10.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -56.22 -61.3 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.4 m -68.78 -57.93 4.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.411 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 7.0 m120 -54.47 -50.81 66.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.406 ' CE1' ' HB ' ' A' ' 14' ' ' VAL . 1.5 m80 -121.83 82.39 42.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.639 0.733 . . . . 0.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -51.49 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 p -85.81 134.89 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -83.51 114.62 54.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.727 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 2.8 3.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.636 HG11 ' CG ' ' A' ' 33' ' ' HIS . 76.4 t -99.75 -54.12 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 16' ' ' GLU . 19.4 p -119.29 33.3 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 15' ' ' CYS . 36.8 mt-10 34.14 36.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 15' ' ' CYS . 20.6 ttmt -107.91 122.4 46.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.7 p -101.88 142.56 33.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -119.72 137.14 54.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 t -61.11 -41.42 96.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.94 175.09 7.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -109.02 -23.16 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -89.16 -39.3 13.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.1 mt -56.2 -45.02 80.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.9 tp -62.39 -36.48 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -70.35 -56.13 7.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.0 p -61.4 -40.26 93.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.58 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 9.3 t60 -51.96 -65.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' HIS . 68.0 mt -37.08 -28.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' HIS . 14.5 ttmm -78.72 -66.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 32' ' ' ASN . 3.3 t -56.79 -49.4 75.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.58 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 3.7 m120 -66.91 -45.01 79.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.636 ' CG ' HG11 ' A' ' 14' ' ' VAL . 14.6 m-70 -124.1 82.4 56.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -50.63 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.401 ' O ' ' CD ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.859 0.361 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -134.5 136.2 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.88 118.49 65.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.85 2.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -104.97 -57.72 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 14.1 p -97.33 -14.37 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 65.93 49.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.401 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.3 OUTLIER -114.51 147.27 39.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -99.8 151.91 20.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.497 ' CE1' HD12 ' A' ' 25' ' ' ILE . 6.9 m-85 -134.53 165.33 25.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -93.46 -43.27 8.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -107.3 147.21 30.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.64 -40.16 84.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -57.96 -39.24 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.59 -58.81 5.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.497 HD12 ' CE1' ' A' ' 19' ' ' PHE . 2.2 tp -55.93 -37.81 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -61.86 -62.13 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.1 t -58.65 -41.21 85.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -46.48 -50.85 16.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.51 -37.95 76.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -65.83 -52.25 52.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.5 m -74.35 -60.66 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.131 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -55.82 -49.0 74.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -111.72 78.81 2.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.518 0.675 . . . . 0.0 110.822 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -51.15 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -53.43 123.61 12.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 m -117.24 120.15 37.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.66 41.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -174.18 111.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 110.865 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 p -162.57 136.87 6.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.802 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.77 -148.98 4.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -106.48 84.89 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.8 m -119.65 147.07 44.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -102.62 108.38 19.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.8 m -103.78 156.98 17.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -101.19 98.82 9.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.08 2.98 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.29 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.67 HG11 ' CG ' ' A' ' 33' ' ' HIS . 42.3 t -93.28 -50.35 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 p -122.87 27.06 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 40.3 40.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HE3' ' CZ ' ' A' ' 19' ' ' PHE . 12.0 ttpp -108.24 153.45 23.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 m -117.46 160.36 21.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.451 ' CZ ' ' HE3' ' A' ' 17' ' ' LYS . 68.7 m-85 -138.25 163.19 32.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 m -87.31 -44.27 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.508 ' HB2' HD12 ' A' ' 24' ' ' LEU . 7.3 mt-10 -90.38 170.29 10.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.47 -20.21 17.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -89.57 -17.02 29.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.508 HD12 ' HB2' ' A' ' 21' ' ' GLU . 18.7 mt -73.97 -44.44 54.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 tp -62.57 -33.56 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -67.98 -52.56 34.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.4 t -67.75 -40.11 84.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' ASN . 19.7 t60 -51.46 -61.4 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.3 mt -54.15 -42.04 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -55.68 -57.73 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.81 -61.91 1.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 28' ' ' HIS . 14.3 m120 -51.42 -50.1 60.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.67 ' CG ' HG11 ' A' ' 14' ' ' VAL . 22.5 m-70 -109.66 80.59 1.66 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -47.23 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -130.87 35.51 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 36' ' ' VAL . 41.8 t -122.8 52.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.846 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -154.1 158.36 40.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.831 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -77.49 101.23 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.34 125.59 3.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -42.74 119.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.853 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -80.54 109.13 14.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.83 -39.48 2.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.442 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.3 ttp-105 65.59 44.2 3.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.6 p -127.0 160.42 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -85.06 125.24 32.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -102.29 134.88 44.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 16' ' ' GLU . 4.0 t -75.72 119.55 77.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 0.44 5.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.614 2.209 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.421 ' HB ' ' NE2' ' A' ' 33' ' ' HIS . 16.0 t -102.81 -47.49 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 16' ' ' GLU . 22.8 p -122.23 24.5 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 15' ' ' CYS . 8.4 tt0 34.77 43.73 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -105.4 123.57 48.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p -88.55 158.36 18.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -137.42 129.62 29.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -48.54 -40.97 28.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -106.63 168.62 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -95.54 -28.61 14.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -69.09 -28.35 66.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.5 mt -71.12 -63.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.2 tp -41.9 -37.49 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -64.89 -43.29 93.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 m -73.17 -38.53 66.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.424 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 7.2 t60 -54.39 -59.93 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' HIS . 65.5 mt -45.1 -44.17 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -61.66 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.6 m -65.92 -62.0 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.424 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 9.7 m120 -55.39 -48.46 74.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' ILE . 12.1 m-70 -113.54 79.53 4.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.576 0.703 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.18 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -129.43 40.41 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.6 ' O ' HG12 ' A' ' 36' ' ' VAL . 43.9 t -124.25 50.69 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.844 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m -117.96 119.67 35.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -42.43 -46.66 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.73 62.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.5 p 40.19 42.84 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.366 . . . . 0.0 110.864 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -53.66 154.44 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.51 172.7 35.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -101.19 40.93 1.23 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.0 p -92.72 156.18 17.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -107.41 128.91 54.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 t -118.27 132.83 56.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.466 ' N ' HD11 ' A' ' 25' ' ' ILE . 49.2 t -71.37 117.66 58.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.732 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 2.65 3.31 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.728 2.286 . . . . 0.0 112.364 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.8 t -97.71 -55.88 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 16' ' ' GLU . 17.7 p -120.83 32.76 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 15' ' ' CYS . 4.4 tp10 34.01 48.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -83.35 160.11 21.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -125.84 148.35 49.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CD2' ' HB3' ' A' ' 24' ' ' LEU . 72.2 m-85 -148.17 163.24 37.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.1 t -93.31 -36.5 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -110.19 168.25 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.494 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -87.13 -24.73 24.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -71.58 -16.31 62.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.513 ' HB3' ' CD2' ' A' ' 19' ' ' PHE . 45.8 mt -85.54 -48.07 9.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.494 HG22 ' O ' ' A' ' 22' ' ' ASP . 2.5 tp -58.78 -25.51 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 27' ' ' SER . 15.6 ptmt -84.98 -40.79 16.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 73.1 p -70.18 -28.0 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.551 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 8.7 t60 -66.5 -69.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.489 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 87.6 mt -35.22 -45.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -58.68 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.1 m -69.43 -61.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.551 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 4.1 m120 -55.13 -44.39 75.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ILE . 9.2 m-70 -117.64 82.33 15.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.71 . . . . 0.0 110.808 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.18 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -118.87 39.79 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.4 t -153.52 132.66 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.806 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 t -57.58 -62.1 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.837 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 t -94.85 -46.22 6.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.86 90.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -124.39 168.78 12.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 m -106.33 -48.01 3.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.4 159.15 38.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.7 ptt85 -116.57 39.73 3.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.808 0.337 . . . . 0.0 110.823 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.4 p -94.58 173.79 7.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -110.92 138.11 47.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -119.48 141.6 49.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.8 t -77.57 115.01 46.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.9 3.11 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.686 2.258 . . . . 0.0 112.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.1 t -101.42 -54.63 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 16' ' ' GLU . 22.3 p -110.81 29.85 7.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 15' ' ' CYS . 34.5 tt0 34.07 45.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -98.07 168.17 10.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.0 m -137.03 141.14 42.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -130.44 164.93 23.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 t -92.44 -43.87 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -98.34 165.05 12.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.0 -29.01 21.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -72.72 -26.39 61.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.9 mt -75.67 -48.39 22.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 26' ' ' LYS . 1.7 tp -65.71 -43.81 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' N ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -64.69 -38.39 90.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.447 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 28.5 m -76.87 -21.08 55.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.579 ' CE1' ' OD1' ' A' ' 32' ' ' ASN . 6.6 t60 -72.24 -63.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.445 HG23 ' HD2' ' A' ' 33' ' ' HIS . 45.6 mt -50.62 -23.41 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -66.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.2 t -80.91 -34.77 33.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.579 ' OD1' ' CE1' ' A' ' 28' ' ' HIS . 5.7 m-80 -61.91 -54.09 46.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.445 ' HD2' HG23 ' A' ' 29' ' ' ILE . 3.9 m-70 -126.54 81.05 68.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -49.9 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.257 . . . . 0.0 112.364 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -115.92 -25.22 7.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.6 t -83.68 46.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.849 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -151.04 152.38 33.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.915 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.9 p -77.29 136.71 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.47 -59.38 1.45 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -122.46 -36.58 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -160.52 135.23 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.94 94.99 0.44 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.534 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -135.17 153.89 51.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.6 p -89.08 160.14 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.539 ' CB ' HG21 ' A' ' 25' ' ' ILE . 12.5 m-85 -104.61 141.46 36.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.2 m -115.16 122.8 47.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.4 ' CA ' HD11 ' A' ' 25' ' ' ILE . 46.5 t -58.37 135.1 85.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -39.39 6.51 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.576 ' CG2' HG11 ' A' ' 36' ' ' VAL . 82.6 t -74.33 -46.83 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.488 ' O ' ' C ' ' A' ' 16' ' ' GLU . 29.9 p -130.04 79.0 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 15' ' ' CYS . 27.5 mt-10 -30.35 94.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 15' ' ' CYS . 22.2 ttmt -144.5 125.31 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.4 p -85.83 124.21 32.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -99.47 130.73 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -42.21 -44.44 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.521 ' HB2' HD12 ' A' ' 24' ' ' LEU . 73.8 mt-10 -102.61 163.18 12.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.866 ' O ' HG22 ' A' ' 25' ' ' ILE . 16.8 p-10 -85.01 -47.06 10.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -23.22 64.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 21' ' ' GLU . 34.2 mt -65.57 -55.21 18.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.866 HG22 ' O ' ' A' ' 22' ' ' ASP . 3.2 tp -51.87 -30.64 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -69.01 -54.8 13.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 m -64.52 -36.75 85.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' ASN . 10.4 t60 -52.84 -60.7 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.0 mt -53.92 -40.69 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -55.29 -53.73 52.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.2 m -83.19 -62.01 1.7 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' HIS . 16.1 m120 -43.84 -45.16 7.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.531 ' CE1' HG11 ' A' ' 14' ' ' VAL . 32.9 m-70 -127.25 88.72 53.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.587 0.708 . . . . 0.0 110.833 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' A' ' 35' ' ' GLU . 1.3 pm0 -88.64 40.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.576 HG11 ' CG2' ' A' ' 14' ' ' VAL . 9.5 t -143.76 150.21 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.858 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -115.32 -44.81 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 0.0 110.827 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 m -84.47 127.17 33.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.25 59.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 m -84.71 -60.88 1.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 110.817 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -53.4 152.11 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.84 97.28 0.47 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -88.45 -45.15 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.837 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.3 p -72.49 163.94 27.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.502 ' CZ ' ' OD2' ' A' ' 22' ' ' ASP . 23.6 m-85 -94.03 118.27 31.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -115.34 131.07 57.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.487 ' CA ' HD11 ' A' ' 25' ' ' ILE . 6.0 t -67.9 118.09 54.7 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 2.88 3.1 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.385 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.1 -65.63 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 p -88.49 -5.36 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 61.48 46.26 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -92.96 179.55 5.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.6 p -137.0 123.59 20.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -125.07 163.47 22.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.7 p -97.67 -47.06 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' HB2' HD12 ' A' ' 24' ' ' LEU . 6.3 mm-40 -88.32 166.8 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.503 ' O ' HG22 ' A' ' 25' ' ' ILE . 1.3 m-20 -86.65 -40.17 15.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -59.26 -34.42 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 21' ' ' GLU . 39.5 mt -59.09 -60.52 3.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 22' ' ' ASP . 5.4 tp -57.81 -26.78 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -73.1 -60.83 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.3 t -61.2 -39.01 88.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -51.27 -66.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.462 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 74.8 mt -47.12 -40.16 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.86 -66.57 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.8 m -69.94 -56.85 5.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -53.48 -47.74 69.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.462 ' CD2' ' HA ' ' A' ' 29' ' ' ILE . 10.2 m-70 -117.96 81.96 16.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -51.64 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.629 2.219 . . . . 0.0 112.326 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -113.95 -35.99 4.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.32 144.69 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.839 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -56.39 93.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -113.89 131.21 56.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.93 64.13 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -127.45 42.19 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.894 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 t -70.34 90.5 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.57 134.57 5.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -94.26 41.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.4 p -105.2 146.76 28.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -90.3 140.58 29.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 p -120.75 143.8 48.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.7 t -90.04 112.53 52.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 0.37 5.71 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.731 2.287 . . . . 0.0 112.365 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.554 HG11 ' CE1' ' A' ' 33' ' ' HIS . 63.5 t -92.89 -60.77 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' GLU . 26.2 p -114.86 34.01 5.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' CYS . 10.3 pt-20 34.23 45.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -109.75 125.07 52.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.4 t -104.81 156.82 17.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -143.76 108.24 4.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -44.46 -38.42 4.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.654 ' HB2' HD12 ' A' ' 24' ' ' LEU . 1.5 mp0 -69.33 -179.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -113.79 -28.12 7.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -89.41 -13.64 37.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.654 HD12 ' HB2' ' A' ' 21' ' ' GLU . 31.3 mt -80.08 -35.55 36.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 tp -73.34 -34.58 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -78.94 -37.0 40.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.7 t -79.73 -20.14 47.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.536 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 3.1 t60 -77.4 -63.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.536 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 83.5 mt -43.9 -23.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -79.34 -65.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.579 HG23 ' N ' ' A' ' 32' ' ' ASN . 9.3 t -61.19 -50.54 72.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.187 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.579 ' N ' HG23 ' A' ' 31' ' ' THR . 6.6 m120 -63.39 -41.5 98.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.554 ' CE1' HG11 ' A' ' 14' ' ' VAL . 17.1 m-70 -127.25 81.75 69.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.644 0.735 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -48.01 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.03 -13.79 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.9 t -89.92 55.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.7 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.864 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 p -119.33 41.95 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.381 . . . . 0.0 110.847 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.6 m -151.73 176.18 11.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.41 46.52 4.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 t -123.63 79.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 m -159.94 146.42 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.8 149.23 24.53 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -52.29 98.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.8 t -91.72 138.25 31.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -100.74 113.16 25.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.7 m -120.45 148.57 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.475 ' HB2' HD11 ' A' ' 25' ' ' ILE . 6.0 t -94.21 111.24 52.64 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.6 Cg_endo -69.78 2.53 3.46 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.698 2.266 . . . . 0.0 112.288 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.2 t -99.08 -52.94 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' GLU . 29.7 p -119.79 32.28 6.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' CYS . 24.9 tt0 34.35 39.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -105.93 128.69 53.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.448 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 8.4 t -103.87 169.7 8.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 18' ' ' SER . 30.1 m-85 -145.9 164.74 31.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.8 t -81.19 -47.08 13.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.711 ' H ' HD12 ' A' ' 24' ' ' LEU . 6.4 mm-40 -100.34 163.77 12.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.64 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -74.55 -67.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' ASP . 11.0 ptm180 -36.61 -33.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.711 HD12 ' H ' ' A' ' 21' ' ' GLU . 19.5 mt -54.45 -61.55 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 22' ' ' ASP . 2.7 tp -57.98 -24.22 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -74.02 -43.53 57.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -77.76 -36.73 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.417 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 12.3 t60 -55.34 -54.86 38.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.446 ' O ' HG22 ' A' ' 29' ' ' ILE . 77.4 mt -62.32 -14.04 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -77.8 -42.02 35.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 32' ' ' ASN . 9.9 t -93.81 -48.12 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.539 ' N ' HG23 ' A' ' 31' ' ' THR . 7.4 m120 -60.98 -50.02 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.876 ' HB3' HG13 ' A' ' 36' ' ' VAL . 3.1 m-70 -121.35 77.64 34.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -50.75 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.337 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.69 26.41 7.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.876 HG13 ' HB3' ' A' ' 33' ' ' HIS . 6.5 p -130.98 139.98 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.3 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.826 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -96.07 42.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 0.0 110.828 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 4' ' ' GLY . 43.5 t -97.27 83.35 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.76 43.97 0.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 6' ' ' SER . 2.1 m -132.39 100.51 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 5' ' ' SER . 93.6 p 35.65 43.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.35 108.3 0.26 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.3 162.75 19.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.2 p -92.88 159.61 15.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -108.04 124.86 50.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.6 p -120.78 156.44 31.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 51.8 t -104.76 112.59 65.32 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.0 Cg_endo -69.72 2.97 3.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.274 . . . . 0.0 112.39 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 t -93.96 -52.43 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 16' ' ' GLU . 24.2 p -128.43 37.75 4.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' CYS . 3.6 pm0 33.89 53.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -103.53 128.05 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.6 p -99.28 157.45 16.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.721 ' CE1' HD12 ' A' ' 25' ' ' ILE . 8.8 m-85 -149.4 161.76 41.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 m -98.39 -42.65 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -87.13 165.81 15.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.28 -20.77 23.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -88.53 -14.22 38.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.5 mt -77.11 -33.58 56.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.721 HD12 ' CE1' ' A' ' 19' ' ' PHE . 3.3 tp -77.07 -48.84 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.575 ' N ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -63.24 -36.12 82.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 15.4 t -81.51 -18.41 45.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 2.9 t60 -75.72 -59.49 2.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.513 HG23 ' HD2' ' A' ' 33' ' ' HIS . 69.6 mt -51.18 -40.13 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -59.81 -61.57 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.0 m -66.03 -62.06 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -52.51 -47.41 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.513 ' HD2' HG23 ' A' ' 29' ' ' ILE . 6.9 m-70 -115.63 84.58 12.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 0.0 110.847 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -47.91 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -122.48 -29.49 4.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.25 112.38 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.4 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.875 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -123.22 171.23 9.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.381 . . . . 0.0 110.855 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 m -97.59 146.67 25.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.48 -43.72 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -75.13 73.41 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.844 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -174.87 135.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.07 162.41 35.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.523 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 tpp85 -78.27 133.08 37.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.933 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 m -92.79 155.73 17.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -131.46 121.24 24.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -104.85 138.5 41.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -64.46 134.63 96.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -35.7 12.08 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.328 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.701 HG11 ' CE1' ' A' ' 33' ' ' HIS . 93.7 t -78.56 -42.01 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.501 ' O ' ' C ' ' A' ' 16' ' ' GLU . 29.8 p -134.99 81.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.501 ' C ' ' O ' ' A' ' 15' ' ' CYS . 19.2 mt-10 -29.58 94.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.548 ' HG2' ' CE1' ' A' ' 19' ' ' PHE . 32.0 tttt -144.44 124.22 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.9 p -84.07 143.26 29.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CE1' ' HG2' ' A' ' 17' ' ' LYS . 7.0 m-85 -118.71 149.5 41.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t -68.36 -38.64 81.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -103.29 167.87 9.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.7 -22.62 14.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -83.69 -10.62 58.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.4 mt -89.19 -58.35 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.595 HG23 ' N ' ' A' ' 26' ' ' LYS . 6.6 tp -38.79 -51.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.595 ' N ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -58.58 -43.79 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.8 t -63.71 -49.13 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 2.3 t60 -49.94 -58.71 4.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.613 ' CG2' HG11 ' A' ' 36' ' ' VAL . 95.9 mt -45.8 -36.55 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -68.33 -61.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.81 -58.73 6.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -54.53 -50.27 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.881 ' O ' HG12 ' A' ' 36' ' ' VAL . 7.5 m-70 -127.61 82.83 67.56 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.29 37.57 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -82.63 18.38 1.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.881 HG12 ' O ' ' A' ' 33' ' ' HIS . 5.1 p -127.69 7.13 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.8 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.804 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -92.68 42.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.895 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -69.67 166.56 18.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 121.83 172.53 14.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 4' ' ' GLY . 7.0 t 36.65 41.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.871 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 m -100.43 81.11 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.32 57.67 0.72 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.2 mtt85 -131.17 -42.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.1 t -105.55 158.9 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.547 ' CZ ' ' OD2' ' A' ' 22' ' ' ASP . 7.4 m-85 -110.29 118.03 35.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.4 t -89.68 139.29 30.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.8 t -79.82 116.87 64.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.22 2.9 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.535 HG11 ' CG ' ' A' ' 33' ' ' HIS . 59.7 t -103.16 -51.41 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 16' ' ' GLU . 7.7 p -117.83 28.12 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' CYS . 28.6 mt-10 33.61 39.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -93.62 174.99 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -137.94 152.05 48.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -139.07 144.8 38.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -70.35 -44.12 68.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.06 169.62 10.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.547 ' OD2' ' CZ ' ' A' ' 10' ' ' TYR . 7.9 t70 -96.28 -11.1 26.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.9 ptt85 -90.98 -27.01 18.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.64 -54.69 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.6 tp -54.29 -36.62 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -68.5 -69.26 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -53.09 -16.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.53 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 23.4 t60 -74.33 -68.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.0 mt -46.51 -33.47 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -53.85 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.569 HG23 ' N ' ' A' ' 32' ' ' ASN . 9.9 t -78.86 -50.09 11.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.569 ' N ' HG23 ' A' ' 31' ' ' THR . 7.8 m120 -53.99 -53.2 56.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' CG ' HG11 ' A' ' 14' ' ' VAL . 3.4 m-70 -121.25 82.88 38.72 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.564 0.697 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.46 0.46 Allowed 'Trans proline' 0 C--N 1.34 0.111 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -93.37 46.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 t -151.77 105.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.803 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 t -95.81 147.45 23.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.879 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -104.88 -54.55 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.27 -77.4 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.54 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 t -59.94 130.69 47.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 m -108.0 125.79 51.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.98 133.93 3.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -150.24 164.21 36.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.6 p -95.06 142.54 27.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -107.33 144.18 34.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p -135.69 138.49 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t -76.39 120.53 82.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 6.2 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.5 t -114.76 -62.58 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.8 p -90.02 -25.05 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 74.99 43.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -101.92 141.49 34.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.8 p -104.62 134.06 48.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -123.57 133.14 54.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -58.6 -43.79 89.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -87.07 165.71 15.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -89.16 -32.57 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -72.77 -39.35 66.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.5 mt -50.23 -57.33 8.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.524 HG23 ' N ' ' A' ' 26' ' ' LYS . 1.9 tp -60.64 -47.8 91.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.524 ' N ' HG23 ' A' ' 25' ' ' ILE . 2.0 mmmm -51.26 -64.68 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -60.55 -42.16 95.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -47.47 -50.97 21.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.8 mt -54.99 -40.11 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -68.35 -51.48 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.8 m -65.7 -62.22 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -60.31 -46.07 91.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -117.44 77.39 10.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.711 . . . . 0.0 110.836 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -50.59 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.46 -30.02 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.447 ' O ' HG22 ' A' ' 36' ' ' VAL . 10.0 p -75.04 5.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.868 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.8 p -171.33 143.53 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 110.903 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -87.88 117.44 26.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.02 -73.32 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m -91.65 -52.57 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.347 . . . . 0.0 110.825 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 p -58.38 141.08 52.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.52 -169.18 28.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.516 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 14.4 mtp-105 -99.99 96.23 7.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 t -117.61 175.75 5.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -83.76 136.7 34.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 p -125.89 121.92 34.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.9 t -64.31 117.26 35.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.707 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -2.17 9.75 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.319 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.2 t -94.67 -62.94 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 17' ' ' LYS . 26.8 p -108.35 30.2 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER 35.21 32.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 15' ' ' CYS . 2.7 ttmp? -101.32 125.49 47.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.7 p -106.46 154.04 21.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -128.71 139.5 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.2 t -52.64 -50.53 62.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.546 ' HB2' HD12 ' A' ' 24' ' ' LEU . 27.0 mt-10 -83.31 156.12 23.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -83.15 -38.41 22.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -67.18 -30.32 70.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.546 HD12 ' HB2' ' A' ' 21' ' ' GLU . 45.3 mt -65.75 -60.67 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.0 tp -47.53 -38.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -63.74 -57.05 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.2 t -57.24 -47.2 81.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.494 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 6.0 t60 -45.3 -60.89 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.5 mt -43.09 -40.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -62.2 -62.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.4 m -62.59 -59.87 4.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.494 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 4.8 m120 -55.01 -49.39 71.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -120.32 81.91 30.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -45.68 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.648 2.232 . . . . 0.0 112.338 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -121.3 -27.06 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.1 t -81.37 61.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.1 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.892 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -100.31 167.14 10.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.898 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -138.57 140.56 39.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.08 -61.36 0.52 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 m -104.99 118.25 36.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p 40.24 36.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.99 -91.86 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -44.42 147.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.851 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.2 m -114.52 157.81 22.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -78.22 115.51 18.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.3 m -97.17 153.42 18.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 11.3 t -95.96 104.25 16.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.9 Cg_endo -69.74 2.14 3.79 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -93.47 -54.9 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 16' ' ' GLU . 20.3 p -116.01 32.51 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 15' ' ' CYS . 19.1 tt0 37.47 49.97 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.819 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -105.59 176.52 5.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.4 t -135.63 152.79 51.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -150.77 122.31 7.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.9 m -84.81 28.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -154.09 155.53 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -84.19 -36.36 22.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -69.83 -39.4 76.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.16 -51.57 67.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 26' ' ' LYS . 3.9 tp -62.22 -43.77 98.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' N ' HG23 ' A' ' 25' ' ' ILE . 29.4 mmtt -60.28 -52.87 63.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.4 t -64.7 -43.26 94.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -50.26 -70.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.424 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 86.1 mt -47.24 -39.13 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -66.78 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.7 m -78.2 -57.95 3.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -44.12 -43.56 7.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 29' ' ' ILE . 3.9 m-70 -132.39 89.48 36.57 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.576 0.703 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 33' ' ' HIS . 53.0 Cg_endo -69.83 -50.3 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -125.6 -30.26 3.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.4 t -65.53 103.45 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.837 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -138.9 152.21 47.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -100.85 -57.15 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.09 81.58 1.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -71.12 -36.75 72.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.938 0.399 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 t 57.51 46.79 17.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.52 -110.71 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -131.98 42.4 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.0 m -126.98 165.24 19.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -109.05 123.15 48.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.1 p -129.4 143.85 51.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -83.77 115.83 61.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.639 0.733 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 2.6 3.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.724 HG11 ' CE1' ' A' ' 33' ' ' HIS . 46.3 t -96.96 -46.79 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 16' ' ' GLU . 21.1 p -131.81 32.77 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 15' ' ' CYS . 41.5 tt0 33.88 54.84 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HG2' ' CE1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -98.4 126.5 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.8 p -106.88 141.34 38.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.426 ' CE1' ' HG2' ' A' ' 17' ' ' LYS . 85.0 m-85 -135.59 165.36 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.2 t -86.33 -45.56 11.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' OE1' ' NH1' ' A' ' 23' ' ' ARG . 21.4 mm-40 -96.14 173.88 7.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.427 ' O ' HG22 ' A' ' 25' ' ' ILE . 20.2 t0 -91.79 -47.49 7.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' NH1' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -52.65 -20.38 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.6 mt -78.44 -59.02 2.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 22' ' ' ASP . 3.0 tp -55.34 -35.7 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -69.76 -49.78 49.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 94.6 p -59.75 -43.57 94.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.59 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 5.7 t60 -51.89 -70.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.59 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 86.7 mt -34.82 -47.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -58.54 -58.72 7.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.4 m -66.47 -62.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.476 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 3.0 m-80 -53.54 -48.6 68.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.724 ' CE1' HG11 ' A' ' 14' ' ' VAL . 23.6 m-70 -120.77 82.83 35.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.623 0.725 . . . . 0.0 110.817 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -43.67 2.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.11 -25.49 4.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.1 t -83.6 55.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.9 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.872 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.7 p -156.22 170.82 21.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 t -76.17 -52.74 9.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.12 -110.79 0.53 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 m -119.21 42.27 2.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.8 m -107.17 144.04 34.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.27 -166.64 19.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -51.98 110.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.8 p -101.04 142.23 32.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.488 ' CB ' HG21 ' A' ' 25' ' ' ILE . 47.0 m-85 -84.62 123.63 30.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.0 p -124.08 124.27 42.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -59.49 109.97 2.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 1.37 4.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -92.5 -49.72 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' GLU . 28.0 p -128.39 38.02 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' CYS . 29.1 tp10 35.19 53.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -91.21 158.51 16.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.1 t -133.71 152.69 51.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CE1' HD12 ' A' ' 25' ' ' ILE . 95.3 m-85 -149.47 161.82 41.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 t -94.13 -31.04 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -102.86 168.09 9.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.64 ' O ' HG22 ' A' ' 25' ' ' ILE . 13.4 t0 -87.5 -47.68 8.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -18.63 65.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 mt -73.4 -49.25 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 22' ' ' ASP . 5.8 tp -61.86 -29.16 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -72.02 -41.95 66.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -67.34 -40.17 85.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.585 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 19.9 t60 -53.37 -74.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.494 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 87.2 mt -34.81 -32.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -72.47 -60.31 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.437 HG23 ' NZ ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -67.28 -51.65 50.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.585 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 3.1 m-80 -61.84 -46.77 88.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -122.58 79.96 47.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 110.821 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -47.54 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.24 . . . . 0.0 112.308 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -128.1 31.72 5.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 t -131.07 61.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.851 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -58.68 154.73 13.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -124.85 -47.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.51 61.31 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -46.85 -45.56 20.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.835 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 p -119.51 83.67 2.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.98 -172.73 32.65 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -119.06 110.75 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t -111.32 168.01 9.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -116.9 106.22 13.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.5 p -114.6 113.03 23.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 35.6 t -59.36 111.61 4.02 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.629 0.728 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.3 Cg_endo -69.74 1.71 4.17 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.492 HG11 ' CG ' ' A' ' 33' ' ' HIS . 44.3 t -95.85 -55.39 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' GLU . 27.0 p -118.96 32.06 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.835 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' CYS . 6.9 mt-10 34.45 41.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.511 ' HG2' ' CE1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -104.0 125.61 50.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.9 t -92.63 160.35 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.511 ' CE1' ' HG2' ' A' ' 17' ' ' LYS . 64.3 m-85 -147.56 134.09 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -84.68 19.96 1.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.618 ' HB2' HD12 ' A' ' 24' ' ' LEU . 5.5 mm-40 -138.18 160.06 40.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -92.82 -34.01 14.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.1 ptt85 -80.47 -30.7 37.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' A' ' 21' ' ' GLU . 40.0 mt -67.56 -46.75 71.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.514 HG23 ' N ' ' A' ' 26' ' ' LYS . 2.6 tp -63.53 -47.6 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.514 ' N ' HG23 ' A' ' 25' ' ' ILE . 2.7 mmpt? -58.13 -56.55 20.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.5 m -62.12 -47.31 85.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 5.0 t60 -46.7 -62.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.463 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 83.0 mt -43.59 -34.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -71.58 -66.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 32' ' ' ASN . 4.3 t -51.06 -50.13 59.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.506 ' N ' HG23 ' A' ' 31' ' ' THR . 4.9 m120 -72.76 -41.53 64.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.492 ' CG ' HG11 ' A' ' 14' ' ' VAL . 2.8 m-70 -126.18 84.05 62.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.699 . . . . 0.0 110.831 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.531 ' OE2' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -133.42 39.51 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.531 HG23 ' OE2' ' A' ' 35' ' ' GLU . 4.3 t -125.12 60.21 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.828 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -111.99 43.27 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.855 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t 68.44 42.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.37 89.2 0.55 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -138.13 142.06 40.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 110.839 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 t -57.18 106.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.7 114.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.444 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -54.14 175.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.1 p -91.05 158.47 16.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.556 ' CE1' ' OD2' ' A' ' 22' ' ' ASP . 10.1 m-85 -108.51 120.47 42.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.1 m -133.63 143.47 48.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.423 ' N ' HD11 ' A' ' 25' ' ' ILE . 36.0 t -77.13 114.95 44.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.57 3.44 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.6 t -96.8 -55.36 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 16' ' ' GLU . 15.4 p -120.15 36.23 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' CYS . 46.7 mt-10 33.97 52.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -94.78 169.7 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.0 p -137.48 136.51 37.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 24' ' ' LEU . 78.0 m-85 -130.0 165.61 21.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -89.33 -43.4 10.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -107.64 168.43 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.717 ' O ' HG22 ' A' ' 25' ' ' ILE . 5.2 m-20 -82.79 -39.06 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.408 ' C ' ' HD3' ' A' ' 23' ' ' ARG . 0.8 OUTLIER -60.3 -16.26 32.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.888 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.423 ' HB3' ' CD2' ' A' ' 19' ' ' PHE . 59.1 mt -85.64 -45.73 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 22' ' ' ASP . 3.9 tp -61.39 -23.71 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -86.83 -38.6 16.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.439 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 98.4 p -74.28 -26.51 60.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.411 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 7.6 t60 -67.89 -60.19 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.9 mt -48.51 -39.74 10.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -56.22 -61.3 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.4 m -68.78 -57.93 4.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.411 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 7.0 m120 -54.47 -50.81 66.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.45 ' HB3' HG13 ' A' ' 36' ' ' VAL . 3.3 m-70 -121.83 82.39 42.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.639 0.733 . . . . 0.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -51.49 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -109.79 -37.56 5.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.45 HG13 ' HB3' ' A' ' 33' ' ' HIS . 12.5 p -75.42 151.62 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.9 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.869 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 m -128.39 -47.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -87.14 42.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.93 62.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.8 p -105.25 42.67 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t 59.09 43.88 16.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.69 -47.28 5.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -47.59 -30.05 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.7 m -81.6 143.25 32.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -112.51 125.44 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 p -85.81 134.89 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -83.51 114.62 54.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.727 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 2.8 3.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.636 HG11 ' CG ' ' A' ' 33' ' ' HIS . 76.4 t -99.75 -54.12 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 16' ' ' GLU . 19.4 p -119.29 33.3 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 15' ' ' CYS . 36.8 mt-10 34.14 36.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 15' ' ' CYS . 20.6 ttmt -107.91 122.4 46.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.7 p -101.88 142.56 33.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -119.72 137.14 54.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 t -61.11 -41.42 96.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.94 175.09 7.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -109.02 -23.16 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -89.16 -39.3 13.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.1 mt -56.2 -45.02 80.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.9 tp -62.39 -36.48 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -70.35 -56.13 7.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.0 p -61.4 -40.26 93.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.58 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 9.3 t60 -51.96 -65.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' HIS . 68.0 mt -37.08 -28.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' HIS . 14.5 ttmm -78.72 -66.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 32' ' ' ASN . 3.3 t -56.79 -49.4 75.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.58 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 3.7 m120 -66.91 -45.01 79.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.636 ' CG ' HG11 ' A' ' 14' ' ' VAL . 14.6 m-70 -124.1 82.4 56.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -50.63 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.401 ' O ' ' CD ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -128.39 40.94 3.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.613 ' O ' HG12 ' A' ' 36' ' ' VAL . 47.6 t -133.93 53.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 93.3 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 -179.821 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -95.33 129.97 42.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.883 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 p -53.21 106.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.31 -85.32 0.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -47.02 174.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -107.92 42.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.39 115.18 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -57.42 -38.45 74.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 8' ' ' ARG . 46.8 m -98.37 161.16 13.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -80.05 107.28 12.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -134.5 136.2 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.88 118.49 65.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.85 2.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -104.97 -57.72 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 14.1 p -97.33 -14.37 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 65.93 49.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.401 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.3 OUTLIER -114.51 147.27 39.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -99.8 151.91 20.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.497 ' CE1' HD12 ' A' ' 25' ' ' ILE . 6.9 m-85 -134.53 165.33 25.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -93.46 -43.27 8.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -107.3 147.21 30.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.64 -40.16 84.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -57.96 -39.24 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.59 -58.81 5.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.497 HD12 ' CE1' ' A' ' 19' ' ' PHE . 2.2 tp -55.93 -37.81 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -61.86 -62.13 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.1 t -58.65 -41.21 85.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -46.48 -50.85 16.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.51 -37.95 76.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -65.83 -52.25 52.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.5 m -74.35 -60.66 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.131 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -55.82 -49.0 74.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.457 ' HB3' HG13 ' A' ' 36' ' ' VAL . 22.9 m-70 -111.72 78.81 2.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.518 0.675 . . . . 0.0 110.822 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -51.15 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 36' ' ' VAL . 18.3 pt-20 -111.93 -36.22 5.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.457 HG13 ' HB3' ' A' ' 33' ' ' HIS . 3.5 p -67.6 139.37 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.877 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.876 0.37 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.8 m -103.78 156.98 17.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -101.19 98.82 9.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.08 2.98 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.29 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.67 HG11 ' CG ' ' A' ' 33' ' ' HIS . 42.3 t -93.28 -50.35 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 p -122.87 27.06 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 40.3 40.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HE3' ' CZ ' ' A' ' 19' ' ' PHE . 12.0 ttpp -108.24 153.45 23.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 m -117.46 160.36 21.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.451 ' CZ ' ' HE3' ' A' ' 17' ' ' LYS . 68.7 m-85 -138.25 163.19 32.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 m -87.31 -44.27 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.508 ' HB2' HD12 ' A' ' 24' ' ' LEU . 7.3 mt-10 -90.38 170.29 10.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.47 -20.21 17.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -89.57 -17.02 29.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.508 HD12 ' HB2' ' A' ' 21' ' ' GLU . 18.7 mt -73.97 -44.44 54.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 tp -62.57 -33.56 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -67.98 -52.56 34.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.4 t -67.75 -40.11 84.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' ASN . 19.7 t60 -51.46 -61.4 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.3 mt -54.15 -42.04 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -55.68 -57.73 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.81 -61.91 1.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 28' ' ' HIS . 14.3 m120 -51.42 -50.1 60.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.67 ' CG ' HG11 ' A' ' 14' ' ' VAL . 22.5 m-70 -109.66 80.59 1.66 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -47.23 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.938 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.915 0.388 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -102.29 134.88 44.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 16' ' ' GLU . 4.0 t -75.72 119.55 77.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 0.44 5.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.614 2.209 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.421 ' HB ' ' NE2' ' A' ' 33' ' ' HIS . 16.0 t -102.81 -47.49 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 16' ' ' GLU . 22.8 p -122.23 24.5 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 15' ' ' CYS . 8.4 tt0 34.77 43.73 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -105.4 123.57 48.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p -88.55 158.36 18.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -137.42 129.62 29.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -48.54 -40.97 28.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -106.63 168.62 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -95.54 -28.61 14.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -69.09 -28.35 66.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.5 mt -71.12 -63.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.2 tp -41.9 -37.49 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -64.89 -43.29 93.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 m -73.17 -38.53 66.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.495 ' ND1' ' ND2' ' A' ' 32' ' ' ASN . 7.2 t60 -54.39 -59.93 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' HIS . 65.5 mt -45.1 -44.17 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -61.66 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.6 m -65.92 -62.0 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.495 ' ND2' ' ND1' ' A' ' 28' ' ' HIS . 14.4 m-80 -55.39 -48.46 74.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' ILE . 12.1 m-70 -113.54 79.53 4.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.576 0.703 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.18 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.935 0.398 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 t -118.27 132.83 56.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.466 ' N ' HD11 ' A' ' 25' ' ' ILE . 49.2 t -71.37 117.66 58.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.732 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 2.65 3.31 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.728 2.286 . . . . 0.0 112.364 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.8 t -97.71 -55.88 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 16' ' ' GLU . 17.7 p -120.83 32.76 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 15' ' ' CYS . 4.4 tp10 34.01 48.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -83.35 160.11 21.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -125.84 148.35 49.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CD2' ' HB3' ' A' ' 24' ' ' LEU . 72.2 m-85 -148.17 163.24 37.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.1 t -93.31 -36.5 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -110.19 168.25 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.494 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -87.13 -24.73 24.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -71.58 -16.31 62.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.513 ' HB3' ' CD2' ' A' ' 19' ' ' PHE . 45.8 mt -85.54 -48.07 9.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.494 HG22 ' O ' ' A' ' 22' ' ' ASP . 2.5 tp -58.78 -25.51 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 27' ' ' SER . 15.6 ptmt -84.98 -40.79 16.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 73.1 p -70.18 -28.0 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.551 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 8.7 t60 -66.5 -69.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.489 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 87.6 mt -35.22 -45.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -58.68 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.1 m -69.43 -61.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.551 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 3.2 m-80 -55.13 -44.39 75.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ILE . 9.2 m-70 -117.64 82.33 15.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.71 . . . . 0.0 110.808 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.18 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.888 0.375 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -119.48 141.6 49.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.8 t -77.57 115.01 46.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.9 3.11 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.686 2.258 . . . . 0.0 112.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.1 t -101.42 -54.63 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 16' ' ' GLU . 22.3 p -110.81 29.85 7.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 15' ' ' CYS . 34.5 tt0 34.07 45.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -98.07 168.17 10.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.0 m -137.03 141.14 42.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -130.44 164.93 23.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 t -92.44 -43.87 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -98.34 165.05 12.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.0 -29.01 21.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -72.72 -26.39 61.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.9 mt -75.67 -48.39 22.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 26' ' ' LYS . 1.7 tp -65.71 -43.81 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.453 ' N ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -64.69 -38.39 90.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.447 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 28.5 m -76.87 -21.08 55.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.579 ' CE1' ' OD1' ' A' ' 32' ' ' ASN . 6.6 t60 -72.24 -63.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.445 HG23 ' HD2' ' A' ' 33' ' ' HIS . 45.6 mt -50.62 -23.41 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -66.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.2 t -80.91 -34.77 33.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.579 ' OD1' ' CE1' ' A' ' 28' ' ' HIS . 5.7 m-80 -61.91 -54.09 46.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.445 ' HD2' HG23 ' A' ' 29' ' ' ILE . 3.9 m-70 -126.54 81.05 68.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -49.9 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.257 . . . . 0.0 112.364 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.539 ' CB ' HG21 ' A' ' 25' ' ' ILE . 12.5 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.944 0.402 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.2 m -115.16 122.8 47.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.4 ' CA ' HD11 ' A' ' 25' ' ' ILE . 46.5 t -58.37 135.1 85.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -39.39 6.51 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.531 HG11 ' CE1' ' A' ' 33' ' ' HIS . 82.6 t -74.33 -46.83 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.488 ' O ' ' C ' ' A' ' 16' ' ' GLU . 29.9 p -130.04 79.0 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 15' ' ' CYS . 27.5 mt-10 -30.35 94.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 15' ' ' CYS . 22.2 ttmt -144.5 125.31 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.4 p -85.83 124.21 32.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -99.47 130.73 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -42.21 -44.44 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.521 ' HB2' HD12 ' A' ' 24' ' ' LEU . 73.8 mt-10 -102.61 163.18 12.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.866 ' O ' HG22 ' A' ' 25' ' ' ILE . 16.8 p-10 -85.01 -47.06 10.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -23.22 64.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 21' ' ' GLU . 34.2 mt -65.57 -55.21 18.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.866 HG22 ' O ' ' A' ' 22' ' ' ASP . 3.2 tp -51.87 -30.64 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -69.01 -54.8 13.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 m -64.52 -36.75 85.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' ASN . 10.4 t60 -52.84 -60.7 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.0 mt -53.92 -40.69 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -55.29 -53.73 52.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.2 m -83.19 -62.01 1.7 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' HIS . 16.1 m120 -43.84 -45.16 7.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.531 ' CE1' HG11 ' A' ' 14' ' ' VAL . 32.9 m-70 -127.25 88.72 53.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.587 0.708 . . . . 0.0 110.833 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 1.3 pm0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.502 ' CZ ' ' OD2' ' A' ' 22' ' ' ASP . 23.6 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.889 0.376 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -115.34 131.07 57.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.487 ' CA ' HD11 ' A' ' 25' ' ' ILE . 6.0 t -67.9 118.09 54.7 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 2.88 3.1 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.385 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.1 -65.63 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 p -88.49 -5.36 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 61.48 46.26 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -92.96 179.55 5.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.6 p -137.0 123.59 20.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -125.07 163.47 22.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.7 p -97.67 -47.06 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.415 ' HB2' HD12 ' A' ' 24' ' ' LEU . 6.3 mm-40 -88.32 166.8 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.503 ' O ' HG22 ' A' ' 25' ' ' ILE . 1.3 m-20 -86.65 -40.17 15.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -59.26 -34.42 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 21' ' ' GLU . 39.5 mt -59.09 -60.52 3.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 22' ' ' ASP . 5.4 tp -57.81 -26.78 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -73.1 -60.83 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.3 t -61.2 -39.01 88.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -51.27 -66.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.462 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 74.8 mt -47.12 -40.16 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.86 -66.57 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.8 m -69.94 -56.85 5.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -53.48 -47.74 69.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.462 ' CD2' ' HA ' ' A' ' 29' ' ' ILE . 10.2 m-70 -117.96 81.96 16.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -51.64 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.629 2.219 . . . . 0.0 112.326 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.876 0.37 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 p -120.75 143.8 48.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.7 t -90.04 112.53 52.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 0.37 5.71 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.731 2.287 . . . . 0.0 112.365 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.554 HG11 ' CE1' ' A' ' 33' ' ' HIS . 63.5 t -92.89 -60.77 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' GLU . 26.2 p -114.86 34.01 5.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' CYS . 10.3 pt-20 34.23 45.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -109.75 125.07 52.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.4 t -104.81 156.82 17.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -143.76 108.24 4.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -44.46 -38.42 4.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.654 ' HB2' HD12 ' A' ' 24' ' ' LEU . 1.5 mp0 -69.33 -179.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -113.79 -28.12 7.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -89.41 -13.64 37.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.654 HD12 ' HB2' ' A' ' 21' ' ' GLU . 31.3 mt -80.08 -35.55 36.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 tp -73.34 -34.58 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -78.94 -37.0 40.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.7 t -79.73 -20.14 47.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.536 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 3.1 t60 -77.4 -63.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.536 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 83.5 mt -43.9 -23.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -79.34 -65.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.579 HG23 ' N ' ' A' ' 32' ' ' ASN . 9.3 t -61.19 -50.54 72.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.187 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.579 ' N ' HG23 ' A' ' 31' ' ' THR . 10.4 m-80 -63.39 -41.5 98.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.554 ' CE1' HG11 ' A' ' 14' ' ' VAL . 17.1 m-70 -127.25 81.75 69.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.644 0.735 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -48.01 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.912 0.386 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.7 m -120.45 148.57 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.475 ' HB2' HD11 ' A' ' 25' ' ' ILE . 6.0 t -94.21 111.24 52.64 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.6 Cg_endo -69.78 2.53 3.46 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.698 2.266 . . . . 0.0 112.288 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.2 t -99.08 -52.94 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' GLU . 29.7 p -119.79 32.28 6.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' CYS . 24.9 tt0 34.35 39.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -105.93 128.69 53.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.448 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 8.4 t -103.87 169.7 8.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 18' ' ' SER . 30.1 m-85 -145.9 164.74 31.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.8 t -81.19 -47.08 13.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.711 ' H ' HD12 ' A' ' 24' ' ' LEU . 6.4 mm-40 -100.34 163.77 12.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.64 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -74.55 -67.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' ASP . 11.0 ptm180 -36.61 -33.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.711 HD12 ' H ' ' A' ' 21' ' ' GLU . 19.5 mt -54.45 -61.55 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 22' ' ' ASP . 2.7 tp -57.98 -24.22 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -74.02 -43.53 57.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -77.76 -36.73 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.417 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 12.3 t60 -55.34 -54.86 38.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.446 ' O ' HG22 ' A' ' 29' ' ' ILE . 77.4 mt -62.32 -14.04 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -77.8 -42.02 35.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 32' ' ' ASN . 9.9 t -93.81 -48.12 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.539 ' N ' HG23 ' A' ' 31' ' ' THR . 7.4 m-80 -60.98 -50.02 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -121.35 77.64 34.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -50.75 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.337 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.899 0.381 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.6 p -120.78 156.44 31.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 51.8 t -104.76 112.59 65.32 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.0 Cg_endo -69.72 2.97 3.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.274 . . . . 0.0 112.39 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 t -93.96 -52.43 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 16' ' ' GLU . 24.2 p -128.43 37.75 4.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' CYS . 3.6 pm0 33.89 53.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -103.53 128.05 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.6 p -99.28 157.45 16.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.721 ' CE1' HD12 ' A' ' 25' ' ' ILE . 8.8 m-85 -149.4 161.76 41.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 m -98.39 -42.65 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -87.13 165.81 15.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.28 -20.77 23.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -88.53 -14.22 38.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.5 mt -77.11 -33.58 56.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.721 HD12 ' CE1' ' A' ' 19' ' ' PHE . 3.3 tp -77.07 -48.84 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.575 ' N ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -63.24 -36.12 82.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 15.4 t -81.51 -18.41 45.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 2.9 t60 -75.72 -59.49 2.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.513 HG23 ' HD2' ' A' ' 33' ' ' HIS . 69.6 mt -51.18 -40.13 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -59.81 -61.57 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.0 m -66.03 -62.06 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -52.51 -47.41 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.513 ' HD2' HG23 ' A' ' 29' ' ' ILE . 6.9 m-70 -115.63 84.58 12.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 0.0 110.847 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -47.91 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.913 0.387 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -104.85 138.5 41.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -64.46 134.63 96.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -35.7 12.08 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.328 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.701 HG11 ' CE1' ' A' ' 33' ' ' HIS . 93.7 t -78.56 -42.01 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.501 ' O ' ' C ' ' A' ' 16' ' ' GLU . 29.8 p -134.99 81.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.501 ' C ' ' O ' ' A' ' 15' ' ' CYS . 19.2 mt-10 -29.58 94.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.548 ' HG2' ' CE1' ' A' ' 19' ' ' PHE . 32.0 tttt -144.44 124.22 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.9 p -84.07 143.26 29.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CE1' ' HG2' ' A' ' 17' ' ' LYS . 7.0 m-85 -118.71 149.5 41.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t -68.36 -38.64 81.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -103.29 167.87 9.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.7 -22.62 14.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -83.69 -10.62 58.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.4 mt -89.19 -58.35 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.595 HG23 ' N ' ' A' ' 26' ' ' LYS . 6.6 tp -38.79 -51.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.595 ' N ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -58.58 -43.79 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.8 t -63.71 -49.13 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 2.3 t60 -49.94 -58.71 4.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.469 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 95.9 mt -45.8 -36.55 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -68.33 -61.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.81 -58.73 6.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -54.53 -50.27 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.701 ' CE1' HG11 ' A' ' 14' ' ' VAL . 7.5 m-70 -127.61 82.83 67.56 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.29 37.57 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.547 ' CZ ' ' OD2' ' A' ' 22' ' ' ASP . 7.4 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.4 t -89.68 139.29 30.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.8 t -79.82 116.87 64.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.22 2.9 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.535 HG11 ' CG ' ' A' ' 33' ' ' HIS . 59.7 t -103.16 -51.41 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 16' ' ' GLU . 7.7 p -117.83 28.12 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' CYS . 28.6 mt-10 33.61 39.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -93.62 174.99 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -137.94 152.05 48.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -139.07 144.8 38.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -70.35 -44.12 68.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.06 169.62 10.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.547 ' OD2' ' CZ ' ' A' ' 10' ' ' TYR . 7.9 t70 -96.28 -11.1 26.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.9 ptt85 -90.98 -27.01 18.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.64 -54.69 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.6 tp -54.29 -36.62 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -68.5 -69.26 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -53.09 -16.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.53 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 23.4 t60 -74.33 -68.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.0 mt -46.51 -33.47 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -53.85 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.569 HG23 ' N ' ' A' ' 32' ' ' ASN . 9.9 t -78.86 -50.09 11.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.569 ' N ' HG23 ' A' ' 31' ' ' THR . 7.9 m-80 -53.99 -53.2 56.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.535 ' CG ' HG11 ' A' ' 14' ' ' VAL . 3.4 m-70 -121.25 82.88 38.72 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.564 0.697 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.46 0.46 Allowed 'Trans proline' 0 C--N 1.34 0.111 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.884 0.374 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p -135.69 138.49 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t -76.39 120.53 82.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 6.2 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.5 t -114.76 -62.58 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.8 p -90.02 -25.05 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 74.99 43.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -101.92 141.49 34.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.8 p -104.62 134.06 48.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -123.57 133.14 54.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -58.6 -43.79 89.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -87.07 165.71 15.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -89.16 -32.57 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -72.77 -39.35 66.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.5 mt -50.23 -57.33 8.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.524 HG23 ' N ' ' A' ' 26' ' ' LYS . 1.9 tp -60.64 -47.8 91.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.524 ' N ' HG23 ' A' ' 25' ' ' ILE . 2.0 mmmm -51.26 -64.68 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -60.55 -42.16 95.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -47.47 -50.97 21.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.8 mt -54.99 -40.11 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -68.35 -51.48 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.8 m -65.7 -62.22 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -60.31 -46.07 91.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -117.44 77.39 10.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.711 . . . . 0.0 110.836 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -50.59 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.899 0.38 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 p -125.89 121.92 34.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.9 t -64.31 117.26 35.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.707 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -2.17 9.75 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.319 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.2 t -94.67 -62.94 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 17' ' ' LYS . 26.8 p -108.35 30.2 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER 35.21 32.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 15' ' ' CYS . 2.7 ttmp? -101.32 125.49 47.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.7 p -106.46 154.04 21.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -128.71 139.5 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.2 t -52.64 -50.53 62.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.546 ' HB2' HD12 ' A' ' 24' ' ' LEU . 27.0 mt-10 -83.31 156.12 23.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -83.15 -38.41 22.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -67.18 -30.32 70.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.546 HD12 ' HB2' ' A' ' 21' ' ' GLU . 45.3 mt -65.75 -60.67 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.0 tp -47.53 -38.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -63.74 -57.05 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.2 t -57.24 -47.2 81.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.494 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 6.0 t60 -45.3 -60.89 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.5 mt -43.09 -40.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -62.2 -62.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.4 m -62.59 -59.87 4.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.494 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 5.5 m-80 -55.01 -49.39 71.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -120.32 81.91 30.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -45.68 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.648 2.232 . . . . 0.0 112.338 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.869 0.366 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.3 m -97.17 153.42 18.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 11.3 t -95.96 104.25 16.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.9 Cg_endo -69.74 2.14 3.79 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -93.47 -54.9 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 16' ' ' GLU . 20.3 p -116.01 32.51 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 15' ' ' CYS . 19.1 tt0 37.47 49.97 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.819 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -105.59 176.52 5.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.4 t -135.63 152.79 51.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -150.77 122.31 7.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.9 m -84.81 28.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -154.09 155.53 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -84.19 -36.36 22.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -69.83 -39.4 76.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.16 -51.57 67.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 26' ' ' LYS . 3.9 tp -62.22 -43.77 98.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.433 ' N ' HG23 ' A' ' 25' ' ' ILE . 29.4 mmtt -60.28 -52.87 63.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.4 t -64.7 -43.26 94.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -50.26 -70.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.424 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 86.1 mt -47.24 -39.13 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -66.78 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.7 m -78.2 -57.95 3.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -44.12 -43.56 7.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 29' ' ' ILE . 3.9 m-70 -132.39 89.48 36.57 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.576 0.703 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 33' ' ' HIS . 53.0 Cg_endo -69.83 -50.3 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.895 0.379 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.1 p -129.4 143.85 51.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -83.77 115.83 61.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.639 0.733 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 2.6 3.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.724 HG11 ' CE1' ' A' ' 33' ' ' HIS . 46.3 t -96.96 -46.79 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 16' ' ' GLU . 21.1 p -131.81 32.77 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 15' ' ' CYS . 41.5 tt0 33.88 54.84 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HG2' ' CE1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -98.4 126.5 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.8 p -106.88 141.34 38.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.426 ' CE1' ' HG2' ' A' ' 17' ' ' LYS . 85.0 m-85 -135.59 165.36 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.2 t -86.33 -45.56 11.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.41 ' OE1' ' NH1' ' A' ' 23' ' ' ARG . 21.4 mm-40 -96.14 173.88 7.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.427 ' O ' HG22 ' A' ' 25' ' ' ILE . 20.2 t0 -91.79 -47.49 7.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' NH1' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -52.65 -20.38 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.6 mt -78.44 -59.02 2.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 22' ' ' ASP . 3.0 tp -55.34 -35.7 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -69.76 -49.78 49.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 94.6 p -59.75 -43.57 94.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.59 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 5.7 t60 -51.89 -70.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.59 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 86.7 mt -34.82 -47.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -58.54 -58.72 7.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.4 m -66.47 -62.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.476 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 3.0 m-80 -53.54 -48.6 68.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.724 ' CE1' HG11 ' A' ' 14' ' ' VAL . 23.6 m-70 -120.77 82.83 35.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.623 0.725 . . . . 0.0 110.817 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -43.67 2.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.488 ' CB ' HG21 ' A' ' 25' ' ' ILE . 47.0 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.879 0.371 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.0 p -124.08 124.27 42.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -59.49 109.97 2.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 1.37 4.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -92.5 -49.72 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' GLU . 28.0 p -128.39 38.02 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' CYS . 29.1 tp10 35.19 53.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -91.21 158.51 16.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.1 t -133.71 152.69 51.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CE1' HD12 ' A' ' 25' ' ' ILE . 95.3 m-85 -149.47 161.82 41.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 t -94.13 -31.04 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -102.86 168.09 9.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.64 ' O ' HG22 ' A' ' 25' ' ' ILE . 13.4 t0 -87.5 -47.68 8.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -18.63 65.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 mt -73.4 -49.25 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 22' ' ' ASP . 5.8 tp -61.86 -29.16 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -72.02 -41.95 66.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -67.34 -40.17 85.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.585 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 19.9 t60 -53.37 -74.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.494 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 87.2 mt -34.81 -32.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -72.47 -60.31 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.437 HG23 ' NZ ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -67.28 -51.65 50.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.585 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 3.1 m-80 -61.84 -46.77 88.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -122.58 79.96 47.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 110.821 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -47.54 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.24 . . . . 0.0 112.308 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.894 0.378 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.5 p -114.6 113.03 23.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 35.6 t -59.36 111.61 4.02 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.629 0.728 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.3 Cg_endo -69.74 1.71 4.17 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.492 HG11 ' CG ' ' A' ' 33' ' ' HIS . 44.3 t -95.85 -55.39 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' GLU . 27.0 p -118.96 32.06 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.835 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' CYS . 6.9 mt-10 34.45 41.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.511 ' HG2' ' CE1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -104.0 125.61 50.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.9 t -92.63 160.35 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.511 ' CE1' ' HG2' ' A' ' 17' ' ' LYS . 64.3 m-85 -147.56 134.09 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -84.68 19.96 1.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.618 ' HB2' HD12 ' A' ' 24' ' ' LEU . 5.5 mm-40 -138.18 160.06 40.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -92.82 -34.01 14.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.1 ptt85 -80.47 -30.7 37.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' A' ' 21' ' ' GLU . 40.0 mt -67.56 -46.75 71.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.514 HG23 ' N ' ' A' ' 26' ' ' LYS . 2.6 tp -63.53 -47.6 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.514 ' N ' HG23 ' A' ' 25' ' ' ILE . 2.7 mmpt? -58.13 -56.55 20.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.5 m -62.12 -47.31 85.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 5.0 t60 -46.7 -62.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.463 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 83.0 mt -43.59 -34.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -71.58 -66.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 32' ' ' ASN . 4.3 t -51.06 -50.13 59.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.506 ' N ' HG23 ' A' ' 31' ' ' THR . 12.9 m-80 -72.76 -41.53 64.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.492 ' CG ' HG11 ' A' ' 14' ' ' VAL . 2.8 m-70 -126.18 84.05 62.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.699 . . . . 0.0 110.831 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.468 ' CD ' ' C ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.556 ' CE1' ' OD2' ' A' ' 22' ' ' ASP . 10.1 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.86 0.362 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.1 m -133.63 143.47 48.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.423 ' N ' HD11 ' A' ' 25' ' ' ILE . 36.0 t -77.13 114.95 44.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.57 3.44 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.6 t -96.8 -55.36 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 16' ' ' GLU . 15.4 p -120.15 36.23 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' CYS . 46.7 mt-10 33.97 52.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -94.78 169.7 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.0 p -137.48 136.51 37.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 24' ' ' LEU . 78.0 m-85 -130.0 165.61 21.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -89.33 -43.4 10.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -107.64 168.43 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.717 ' O ' HG22 ' A' ' 25' ' ' ILE . 5.2 m-20 -82.79 -39.06 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 23' ' ' ARG . 0.8 OUTLIER -60.3 -16.26 32.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.888 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.423 ' HB3' ' CD2' ' A' ' 19' ' ' PHE . 59.1 mt -85.64 -45.73 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 22' ' ' ASP . 3.9 tp -61.39 -23.71 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -86.83 -38.6 16.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.439 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 98.4 p -74.28 -26.51 60.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.411 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 7.6 t60 -67.89 -60.19 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.9 mt -48.51 -39.74 10.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -56.22 -61.3 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.4 m -68.78 -57.93 4.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.411 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 6.9 m-80 -54.47 -50.81 66.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -121.83 82.39 42.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.639 0.733 . . . . 0.0 110.839 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -51.49 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 p -85.81 134.89 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -83.51 114.62 54.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.727 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 2.8 3.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.636 HG11 ' CG ' ' A' ' 33' ' ' HIS . 76.4 t -99.75 -54.12 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 16' ' ' GLU . 19.4 p -119.29 33.3 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 15' ' ' CYS . 36.8 mt-10 34.14 36.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 15' ' ' CYS . 20.6 ttmt -107.91 122.4 46.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.7 p -101.88 142.56 33.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -119.72 137.14 54.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 t -61.11 -41.42 96.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.94 175.09 7.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -109.02 -23.16 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -89.16 -39.3 13.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.1 mt -56.2 -45.02 80.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.9 tp -62.39 -36.48 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -70.35 -56.13 7.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.0 p -61.4 -40.26 93.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.58 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 9.3 t60 -51.96 -65.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' HIS . 68.0 mt -37.08 -28.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' HIS . 14.5 ttmm -78.72 -66.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 32' ' ' ASN . 3.3 t -56.79 -49.4 75.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.58 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 4.8 m-80 -66.91 -45.01 79.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.636 ' CG ' HG11 ' A' ' 14' ' ' VAL . 14.6 m-70 -124.1 82.4 56.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -50.63 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.401 ' O ' ' CD ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.859 0.361 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -134.5 136.2 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.88 118.49 65.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.85 2.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -104.97 -57.72 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 14.1 p -97.33 -14.37 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 65.93 49.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.401 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.3 OUTLIER -114.51 147.27 39.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -99.8 151.91 20.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.497 ' CE1' HD12 ' A' ' 25' ' ' ILE . 6.9 m-85 -134.53 165.33 25.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -93.46 -43.27 8.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -107.3 147.21 30.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.64 -40.16 84.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -57.96 -39.24 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.59 -58.81 5.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.497 HD12 ' CE1' ' A' ' 19' ' ' PHE . 2.2 tp -55.93 -37.81 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -61.86 -62.13 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.1 t -58.65 -41.21 85.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -46.48 -50.85 16.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.51 -37.95 76.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -65.83 -52.25 52.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.5 m -74.35 -60.66 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.131 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -55.82 -49.0 74.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -111.72 78.81 2.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.518 0.675 . . . . 0.0 110.822 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -51.15 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.93 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -53.43 123.61 12.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 m -117.24 120.15 37.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.66 41.59 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.5 p -174.18 111.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.842 0.353 . . . . 0.0 110.865 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.4 p -162.57 136.87 6.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.802 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.77 -148.98 4.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -106.48 84.89 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.8 m -119.65 147.07 44.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -102.62 108.38 19.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.8 m -103.78 156.98 17.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.5 t -101.19 98.82 9.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.08 2.98 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.29 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.67 HG11 ' CG ' ' A' ' 33' ' ' HIS . 42.3 t -93.28 -50.35 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.3 p -122.87 27.06 7.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 40.3 40.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HE3' ' CZ ' ' A' ' 19' ' ' PHE . 12.0 ttpp -108.24 153.45 23.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 m -117.46 160.36 21.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.451 ' CZ ' ' HE3' ' A' ' 17' ' ' LYS . 68.7 m-85 -138.25 163.19 32.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.3 m -87.31 -44.27 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.508 ' HB2' HD12 ' A' ' 24' ' ' LEU . 7.3 mt-10 -90.38 170.29 10.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.47 -20.21 17.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -89.57 -17.02 29.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.508 HD12 ' HB2' ' A' ' 21' ' ' GLU . 18.7 mt -73.97 -44.44 54.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.8 tp -62.57 -33.56 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -67.98 -52.56 34.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.4 t -67.75 -40.11 84.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' ASN . 19.7 t60 -51.46 -61.4 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.3 mt -54.15 -42.04 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -55.68 -57.73 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.81 -61.91 1.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 28' ' ' HIS . 14.3 m120 -51.42 -50.1 60.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.67 ' CG ' HG11 ' A' ' 14' ' ' VAL . 22.5 m-70 -109.66 80.59 1.66 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -47.23 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.334 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -130.87 35.51 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.584 ' O ' HG12 ' A' ' 36' ' ' VAL . 41.8 t -122.8 52.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.846 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -154.1 158.36 40.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.831 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.2 p -77.49 101.23 6.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.34 125.59 3.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.7 p -42.74 119.36 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.861 0.362 . . . . 0.0 110.853 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -80.54 109.13 14.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.83 -39.48 2.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.442 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.3 ttp-105 65.59 44.2 3.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.802 0.334 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.6 p -127.0 160.42 31.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -85.06 125.24 32.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 t -102.29 134.88 44.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 16' ' ' GLU . 4.0 t -75.72 119.55 77.63 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.654 0.74 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 0.44 5.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.614 2.209 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.421 ' HB ' ' NE2' ' A' ' 33' ' ' HIS . 16.0 t -102.81 -47.49 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 16' ' ' GLU . 22.8 p -122.23 24.5 9.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 15' ' ' CYS . 8.4 tt0 34.77 43.73 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -105.4 123.57 48.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.6 p -88.55 158.36 18.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -137.42 129.62 29.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 t -48.54 -40.97 28.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -106.63 168.62 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -95.54 -28.61 14.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -69.09 -28.35 66.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.5 mt -71.12 -63.31 1.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.2 tp -41.9 -37.49 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -64.89 -43.29 93.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 m -73.17 -38.53 66.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.495 ' ND1' ' ND2' ' A' ' 32' ' ' ASN . 7.2 t60 -54.39 -59.93 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 33' ' ' HIS . 65.5 mt -45.1 -44.17 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.14 -61.66 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.6 m -65.92 -62.0 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.495 ' ND2' ' ND1' ' A' ' 28' ' ' HIS . 14.4 m-80 -55.39 -48.46 74.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' ILE . 12.1 m-70 -113.54 79.53 4.23 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.576 0.703 . . . . 0.0 110.883 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -50.18 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -129.43 40.41 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.6 ' O ' HG12 ' A' ' 36' ' ' VAL . 43.9 t -124.25 50.69 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.844 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m -117.96 119.67 35.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.832 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -42.43 -46.66 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.73 62.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.5 p 40.19 42.84 1.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.366 . . . . 0.0 110.864 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 m -53.66 154.44 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.51 172.7 35.06 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.463 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -101.19 40.93 1.23 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.0 p -92.72 156.18 17.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -107.41 128.91 54.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 t -118.27 132.83 56.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.466 ' N ' HD11 ' A' ' 25' ' ' ILE . 49.2 t -71.37 117.66 58.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.732 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 2.65 3.31 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.728 2.286 . . . . 0.0 112.364 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.8 t -97.71 -55.88 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.453 ' O ' ' C ' ' A' ' 16' ' ' GLU . 17.7 p -120.83 32.76 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 15' ' ' CYS . 4.4 tp10 34.01 48.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -83.35 160.11 21.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.2 p -125.84 148.35 49.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CD2' ' HB3' ' A' ' 24' ' ' LEU . 72.2 m-85 -148.17 163.24 37.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.1 t -93.31 -36.5 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -110.19 168.25 9.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.494 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.6 OUTLIER -87.13 -24.73 24.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -71.58 -16.31 62.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.513 ' HB3' ' CD2' ' A' ' 19' ' ' PHE . 45.8 mt -85.54 -48.07 9.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.494 HG22 ' O ' ' A' ' 22' ' ' ASP . 2.5 tp -58.78 -25.51 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.131 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 27' ' ' SER . 15.6 ptmt -84.98 -40.79 16.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 73.1 p -70.18 -28.0 64.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.551 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 8.7 t60 -66.5 -69.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.489 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 87.6 mt -35.22 -45.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -58.68 7.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.1 m -69.43 -61.39 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.551 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 3.2 m-80 -55.13 -44.39 75.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' ILE . 9.2 m-70 -117.64 82.33 15.9 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.592 0.71 . . . . 0.0 110.808 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.18 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.347 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -118.87 39.79 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.4 t -153.52 132.66 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.159 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.5 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.806 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 t -57.58 -62.1 2.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.837 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 t -94.85 -46.22 6.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.86 90.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.8 m -124.39 168.78 12.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 m -106.33 -48.01 3.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.4 159.15 38.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.7 ptt85 -116.57 39.73 3.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.808 0.337 . . . . 0.0 110.823 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.4 p -94.58 173.79 7.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -110.92 138.11 47.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.4 m -119.48 141.6 49.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 33.8 t -77.57 115.01 46.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 2.9 3.11 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.686 2.258 . . . . 0.0 112.318 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.1 t -101.42 -54.63 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 16' ' ' GLU . 22.3 p -110.81 29.85 7.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 15' ' ' CYS . 34.5 tt0 34.07 45.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -98.07 168.17 10.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.0 m -137.03 141.14 42.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -130.44 164.93 23.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 t -92.44 -43.87 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -98.34 165.05 12.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.0 -29.01 21.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -72.72 -26.39 61.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.9 mt -75.67 -48.39 22.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 26' ' ' LYS . 1.7 tp -65.71 -43.81 93.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.453 ' N ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -64.69 -38.39 90.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.867 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.447 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 28.5 m -76.87 -21.08 55.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.579 ' CE1' ' OD1' ' A' ' 32' ' ' ASN . 6.6 t60 -72.24 -63.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.445 HG23 ' HD2' ' A' ' 33' ' ' HIS . 45.6 mt -50.62 -23.41 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.66 -66.68 0.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.2 t -80.91 -34.77 33.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.579 ' OD1' ' CE1' ' A' ' 28' ' ' HIS . 5.7 m-80 -61.91 -54.09 46.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.445 ' HD2' HG23 ' A' ' 29' ' ' ILE . 3.9 m-70 -126.54 81.05 68.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.907 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -49.9 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.257 . . . . 0.0 112.364 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -115.92 -25.22 7.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.6 t -83.68 46.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.849 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -151.04 152.38 33.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.915 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.9 p -77.29 136.71 38.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.47 -59.38 1.45 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -122.46 -36.58 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -160.52 135.23 7.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.94 94.99 0.44 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.534 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -135.17 153.89 51.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.6 p -89.08 160.14 17.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.539 ' CB ' HG21 ' A' ' 25' ' ' ILE . 12.5 m-85 -104.61 141.46 36.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 56.2 m -115.16 122.8 47.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.875 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.4 ' CA ' HD11 ' A' ' 25' ' ' ILE . 46.5 t -58.37 135.1 85.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.635 0.731 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -39.39 6.51 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.316 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.576 ' CG2' HG11 ' A' ' 36' ' ' VAL . 82.6 t -74.33 -46.83 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.488 ' O ' ' C ' ' A' ' 16' ' ' GLU . 29.9 p -130.04 79.0 1.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.853 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.488 ' C ' ' O ' ' A' ' 15' ' ' CYS . 27.5 mt-10 -30.35 94.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 15' ' ' CYS . 22.2 ttmt -144.5 125.31 14.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 89.4 p -85.83 124.21 32.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -99.47 130.73 45.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 t -42.21 -44.44 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.521 ' HB2' HD12 ' A' ' 24' ' ' LEU . 73.8 mt-10 -102.61 163.18 12.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.866 ' O ' HG22 ' A' ' 25' ' ' ILE . 16.8 p-10 -85.01 -47.06 10.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -23.22 64.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 21' ' ' GLU . 34.2 mt -65.57 -55.21 18.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.866 HG22 ' O ' ' A' ' 22' ' ' ASP . 3.2 tp -51.87 -30.64 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -69.01 -54.8 13.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 m -64.52 -36.75 85.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' ASN . 10.4 t60 -52.84 -60.7 2.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.0 mt -53.92 -40.69 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -55.29 -53.73 52.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.2 m -83.19 -62.01 1.7 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 28' ' ' HIS . 16.1 m120 -43.84 -45.16 7.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.531 ' CE1' HG11 ' A' ' 14' ' ' VAL . 32.9 m-70 -127.25 88.72 53.44 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.587 0.708 . . . . 0.0 110.833 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.622 2.215 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 1.3 pm0 -88.64 40.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.576 HG11 ' CG2' ' A' ' 14' ' ' VAL . 9.5 t -143.76 150.21 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.858 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -115.32 -44.81 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.895 0.379 . . . . 0.0 110.827 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 m -84.47 127.17 33.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.25 59.91 0.49 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.526 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 m -84.71 -60.88 1.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 110.817 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -53.4 152.11 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.84 97.28 0.47 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.512 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -88.45 -45.15 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.837 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.3 p -72.49 163.94 27.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.502 ' CZ ' ' OD2' ' A' ' 22' ' ' ASP . 23.6 m-85 -94.03 118.27 31.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.7 m -115.34 131.07 57.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.487 ' CA ' HD11 ' A' ' 25' ' ' ILE . 6.0 t -67.9 118.09 54.7 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 2.88 3.1 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.385 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.1 -65.63 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 22.5 p -88.49 -5.36 58.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 61.48 46.26 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 mttm -92.96 179.55 5.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 47.6 p -137.0 123.59 20.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -125.07 163.47 22.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.7 p -97.67 -47.06 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.415 ' HB2' HD12 ' A' ' 24' ' ' LEU . 6.3 mm-40 -88.32 166.8 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.503 ' O ' HG22 ' A' ' 25' ' ' ILE . 1.3 m-20 -86.65 -40.17 15.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -59.26 -34.42 72.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' ' 21' ' ' GLU . 39.5 mt -59.09 -60.52 3.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.503 HG22 ' O ' ' A' ' 22' ' ' ASP . 5.4 tp -57.81 -26.78 28.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -73.1 -60.83 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.3 t -61.2 -39.01 88.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -51.27 -66.15 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.462 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 74.8 mt -47.12 -40.16 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.86 -66.57 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.8 m -69.94 -56.85 5.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -53.48 -47.74 69.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.462 ' CD2' ' HA ' ' A' ' 29' ' ' ILE . 10.2 m-70 -117.96 81.96 16.61 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -51.64 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.629 2.219 . . . . 0.0 112.326 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -113.95 -35.99 4.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.2 p -69.32 144.69 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.839 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m -56.39 93.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -113.89 131.21 56.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.93 64.13 0.33 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -127.45 42.19 3.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.894 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 t -70.34 90.5 0.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.57 134.57 5.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -94.26 41.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 110.841 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.4 p -105.2 146.76 28.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -90.3 140.58 29.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 p -120.75 143.8 48.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.7 t -90.04 112.53 52.88 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.719 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 0.37 5.71 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.731 2.287 . . . . 0.0 112.365 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.554 HG11 ' CE1' ' A' ' 33' ' ' HIS . 63.5 t -92.89 -60.77 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.166 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' GLU . 26.2 p -114.86 34.01 5.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' CYS . 10.3 pt-20 34.23 45.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -109.75 125.07 52.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.4 t -104.81 156.82 17.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -143.76 108.24 4.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.1 m -44.46 -38.42 4.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.654 ' HB2' HD12 ' A' ' 24' ' ' LEU . 1.5 mp0 -69.33 -179.96 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -113.79 -28.12 7.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -89.41 -13.64 37.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.654 HD12 ' HB2' ' A' ' 21' ' ' GLU . 31.3 mt -80.08 -35.55 36.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.1 tp -73.34 -34.58 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.148 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -78.94 -37.0 40.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.7 t -79.73 -20.14 47.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.536 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 3.1 t60 -77.4 -63.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.536 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 83.5 mt -43.9 -23.02 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 ttpm? -79.34 -65.56 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.579 HG23 ' N ' ' A' ' 32' ' ' ASN . 9.3 t -61.19 -50.54 72.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.187 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.579 ' N ' HG23 ' A' ' 31' ' ' THR . 10.4 m-80 -63.39 -41.5 98.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.554 ' CE1' HG11 ' A' ' 14' ' ' VAL . 17.1 m-70 -127.25 81.75 69.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.644 0.735 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -48.01 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.03 -13.79 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.9 t -89.92 55.36 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.7 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.864 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 p -119.33 41.95 2.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.381 . . . . 0.0 110.847 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.6 m -151.73 176.18 11.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.41 46.52 4.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 t -123.63 79.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 110.883 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 m -159.94 146.42 15.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.8 149.23 24.53 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -52.29 98.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.8 t -91.72 138.25 31.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -100.74 113.16 25.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.7 m -120.45 148.57 43.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.475 ' HB2' HD11 ' A' ' 25' ' ' ILE . 6.0 t -94.21 111.24 52.64 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.6 Cg_endo -69.78 2.53 3.46 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.698 2.266 . . . . 0.0 112.288 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.2 t -99.08 -52.94 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 16' ' ' GLU . 29.7 p -119.79 32.28 6.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' CYS . 24.9 tt0 34.35 39.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -105.93 128.69 53.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.448 ' C ' ' CD1' ' A' ' 19' ' ' PHE . 8.4 t -103.87 169.7 8.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 18' ' ' SER . 30.1 m-85 -145.9 164.74 31.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 43.8 t -81.19 -47.08 13.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.833 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.711 ' H ' HD12 ' A' ' 24' ' ' LEU . 6.4 mm-40 -100.34 163.77 12.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.64 ' O ' HG22 ' A' ' 25' ' ' ILE . 0.4 OUTLIER -74.55 -67.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 22' ' ' ASP . 11.0 ptm180 -36.61 -33.63 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.711 HD12 ' H ' ' A' ' 21' ' ' GLU . 19.5 mt -54.45 -61.55 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 22' ' ' ASP . 2.7 tp -57.98 -24.22 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -74.02 -43.53 57.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -77.76 -36.73 50.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.417 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 12.3 t60 -55.34 -54.86 38.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.446 ' O ' HG22 ' A' ' 29' ' ' ILE . 77.4 mt -62.32 -14.04 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.168 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -77.8 -42.02 35.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.539 HG23 ' N ' ' A' ' 32' ' ' ASN . 9.9 t -93.81 -48.12 6.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.539 ' N ' HG23 ' A' ' 31' ' ' THR . 7.4 m-80 -60.98 -50.02 75.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.876 ' HB3' HG13 ' A' ' 36' ' ' VAL . 3.1 m-70 -121.35 77.64 34.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -50.75 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.253 . . . . 0.0 112.337 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -124.69 26.41 7.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.876 HG13 ' HB3' ' A' ' 33' ' ' HIS . 6.5 p -130.98 139.98 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.3 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.826 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -96.07 42.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.358 . . . . 0.0 110.828 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 4' ' ' GLY . 43.5 t -97.27 83.35 3.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.76 43.97 0.65 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.518 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 6' ' ' SER . 2.1 m -132.39 100.51 5.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.855 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 5' ' ' SER . 93.6 p 35.65 43.96 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.35 108.3 0.26 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.3 162.75 19.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.2 p -92.88 159.61 15.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -108.04 124.86 50.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.6 p -120.78 156.44 31.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.829 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 51.8 t -104.76 112.59 65.32 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 54.0 Cg_endo -69.72 2.97 3.03 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.71 2.274 . . . . 0.0 112.39 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 13.0 t -93.96 -52.43 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 16' ' ' GLU . 24.2 p -128.43 37.75 4.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' CYS . 3.6 pm0 33.89 53.04 0.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -103.53 128.05 50.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.6 p -99.28 157.45 16.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.721 ' CE1' HD12 ' A' ' 25' ' ' ILE . 8.8 m-85 -149.4 161.76 41.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 m -98.39 -42.65 7.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -87.13 165.81 15.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.28 -20.77 23.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -88.53 -14.22 38.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.5 mt -77.11 -33.58 56.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.721 HD12 ' CE1' ' A' ' 19' ' ' PHE . 3.3 tp -77.07 -48.84 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.575 ' N ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -63.24 -36.12 82.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 15.4 t -81.51 -18.41 45.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 2.9 t60 -75.72 -59.49 2.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.513 HG23 ' HD2' ' A' ' 33' ' ' HIS . 69.6 mt -51.18 -40.13 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -59.81 -61.57 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 53.0 m -66.03 -62.06 1.7 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -52.51 -47.41 66.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.513 ' HD2' HG23 ' A' ' 29' ' ' ILE . 6.9 m-70 -115.63 84.58 12.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.592 0.711 . . . . 0.0 110.847 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -47.91 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -122.48 -29.49 4.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.2 t -64.25 112.38 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.4 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.875 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -123.22 171.23 9.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.381 . . . . 0.0 110.855 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 m -97.59 146.67 25.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.48 -43.72 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.0 p -75.13 73.41 2.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.844 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -174.87 135.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.07 162.41 35.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.523 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 tpp85 -78.27 133.08 37.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.341 . . . . 0.0 110.933 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 m -92.79 155.73 17.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -131.46 121.24 24.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -104.85 138.5 41.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -64.46 134.63 96.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -35.7 12.08 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.725 2.283 . . . . 0.0 112.328 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.701 HG11 ' CE1' ' A' ' 33' ' ' HIS . 93.7 t -78.56 -42.01 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.501 ' O ' ' C ' ' A' ' 16' ' ' GLU . 29.8 p -134.99 81.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.501 ' C ' ' O ' ' A' ' 15' ' ' CYS . 19.2 mt-10 -29.58 94.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.548 ' HG2' ' CE1' ' A' ' 19' ' ' PHE . 32.0 tttt -144.44 124.22 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.9 p -84.07 143.26 29.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CE1' ' HG2' ' A' ' 17' ' ' LYS . 7.0 m-85 -118.71 149.5 41.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 t -68.36 -38.64 81.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.801 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -103.29 167.87 9.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.7 -22.62 14.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -83.69 -10.62 58.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.4 mt -89.19 -58.35 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.595 HG23 ' N ' ' A' ' 26' ' ' LYS . 6.6 tp -38.79 -51.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.595 ' N ' HG23 ' A' ' 25' ' ' ILE . 0.0 OUTLIER -58.58 -43.79 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 38.8 t -63.71 -49.13 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 2.3 t60 -49.94 -58.71 4.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.613 ' CG2' HG11 ' A' ' 36' ' ' VAL . 95.9 mt -45.8 -36.55 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -68.33 -61.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.81 -58.73 6.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -54.53 -50.27 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.934 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.881 ' O ' HG12 ' A' ' 36' ' ' VAL . 7.5 m-70 -127.61 82.83 67.56 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -17.29 37.57 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -82.63 18.38 1.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.881 HG12 ' O ' ' A' ' 33' ' ' HIS . 5.1 p -127.69 7.13 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.156 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.8 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.804 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.8 m -92.68 42.1 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.895 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -69.67 166.56 18.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 121.83 172.53 14.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.509 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 4' ' ' GLY . 7.0 t 36.65 41.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.871 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 m -100.43 81.11 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.32 57.67 0.72 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.2 mtt85 -131.17 -42.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.1 t -105.55 158.9 16.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.547 ' CZ ' ' OD2' ' A' ' 22' ' ' ASP . 7.4 m-85 -110.29 118.03 35.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.4 t -89.68 139.29 30.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 25.8 t -79.82 116.87 64.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.62 0.724 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.22 2.9 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.535 HG11 ' CG ' ' A' ' 33' ' ' HIS . 59.7 t -103.16 -51.41 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 16' ' ' GLU . 7.7 p -117.83 28.12 8.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 15' ' ' CYS . 28.6 mt-10 33.61 39.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -93.62 174.99 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 m -137.94 152.05 48.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -139.07 144.8 38.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.1 m -70.35 -44.12 68.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -91.06 169.62 10.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.547 ' OD2' ' CZ ' ' A' ' 10' ' ' TYR . 7.9 t70 -96.28 -11.1 26.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.9 ptt85 -90.98 -27.01 18.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.64 -54.69 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.6 tp -54.29 -36.62 33.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -68.5 -69.26 0.34 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 22.7 t -53.09 -16.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.53 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 23.4 t60 -74.33 -68.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.0 mt -46.51 -33.47 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -53.85 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.569 HG23 ' N ' ' A' ' 32' ' ' ASN . 9.9 t -78.86 -50.09 11.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.569 ' N ' HG23 ' A' ' 31' ' ' THR . 7.9 m-80 -53.99 -53.2 56.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' CG ' HG11 ' A' ' 14' ' ' VAL . 3.4 m-70 -121.25 82.88 38.72 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.564 0.697 . . . . 0.0 110.832 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -50.46 0.46 Allowed 'Trans proline' 0 C--N 1.34 0.111 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -93.37 46.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 t -151.77 105.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.162 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.803 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 t -95.81 147.45 23.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.879 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -104.88 -54.55 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.27 -77.4 0.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.54 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.7 t -59.94 130.69 47.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 m -108.0 125.79 51.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.98 133.93 3.17 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -150.24 164.21 36.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.6 p -95.06 142.54 27.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -107.33 144.18 34.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p -135.69 138.49 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.0 t -76.39 120.53 82.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.603 0.716 . . . . 0.0 110.891 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 6.2 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.361 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 77.5 t -114.76 -62.58 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.8 p -90.02 -25.05 21.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 74.99 43.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.1 ttmm -101.92 141.49 34.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.8 p -104.62 134.06 48.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -123.57 133.14 54.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -58.6 -43.79 89.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -87.07 165.71 15.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -89.16 -32.57 17.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -72.77 -39.35 66.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.5 mt -50.23 -57.33 8.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.524 HG23 ' N ' ' A' ' 26' ' ' LYS . 1.9 tp -60.64 -47.8 91.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.11 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.524 ' N ' HG23 ' A' ' 25' ' ' ILE . 2.0 mmmm -51.26 -64.68 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.7 t -60.55 -42.16 95.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.875 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -47.47 -50.97 21.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.8 mt -54.99 -40.11 52.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -68.35 -51.48 43.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.8 m -65.7 -62.22 1.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -60.31 -46.07 91.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -117.44 77.39 10.32 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.594 0.711 . . . . 0.0 110.836 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -50.59 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.46 -30.02 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.447 ' O ' HG22 ' A' ' 36' ' ' VAL . 10.0 p -75.04 5.8 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.0 p . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.868 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.8 p -171.33 143.53 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 110.903 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -87.88 117.44 26.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.02 -73.32 0.2 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 m -91.65 -52.57 4.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.347 . . . . 0.0 110.825 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 p -58.38 141.08 52.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.52 -169.18 28.94 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.516 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 8' ' ' ARG . 14.4 mtp-105 -99.99 96.23 7.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 t -117.61 175.75 5.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -83.76 136.7 34.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.938 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 p -125.89 121.92 34.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.9 t -64.31 117.26 35.21 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.707 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -2.17 9.75 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.319 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.2 t -94.67 -62.94 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 17' ' ' LYS . 26.8 p -108.35 30.2 6.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' CYS . 0.9 OUTLIER 35.21 32.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 15' ' ' CYS . 2.7 ttmp? -101.32 125.49 47.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 90.7 p -106.46 154.04 21.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -128.71 139.5 52.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.2 t -52.64 -50.53 62.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.546 ' HB2' HD12 ' A' ' 24' ' ' LEU . 27.0 mt-10 -83.31 156.12 23.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -83.15 -38.41 22.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -67.18 -30.32 70.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.546 HD12 ' HB2' ' A' ' 21' ' ' GLU . 45.3 mt -65.75 -60.67 2.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.0 tp -47.53 -38.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -63.74 -57.05 11.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.2 t -57.24 -47.2 81.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.494 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 6.0 t60 -45.3 -60.89 1.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.5 mt -43.09 -40.31 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 31.8 tttt -62.2 -62.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.4 m -62.59 -59.87 4.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.494 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 5.5 m-80 -55.01 -49.39 71.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -120.32 81.91 30.65 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -45.68 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.648 2.232 . . . . 0.0 112.338 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -121.3 -27.06 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.1 t -81.37 61.31 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.1 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.892 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -100.31 167.14 10.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.898 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -138.57 140.56 39.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.08 -61.36 0.52 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 m -104.99 118.25 36.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.883 0.373 . . . . 0.0 110.846 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p 40.24 36.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.99 -91.86 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -44.42 147.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.851 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.2 m -114.52 157.81 22.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -78.22 115.51 18.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.935 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.3 m -97.17 153.42 18.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 11.3 t -95.96 104.25 16.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.857 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.9 Cg_endo -69.74 2.14 3.79 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.3 t -93.47 -54.9 6.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 16' ' ' GLU . 20.3 p -116.01 32.51 6.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 15' ' ' CYS . 19.1 tt0 37.47 49.97 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.819 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -105.59 176.52 5.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.4 t -135.63 152.79 51.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -150.77 122.31 7.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.9 m -84.81 28.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -154.09 155.53 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -84.19 -36.36 22.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -69.83 -39.4 76.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.16 -51.57 67.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 26' ' ' LYS . 3.9 tp -62.22 -43.77 98.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' N ' HG23 ' A' ' 25' ' ' ILE . 29.4 mmtt -60.28 -52.87 63.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 27.4 t -64.7 -43.26 94.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -50.26 -70.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.424 ' HA ' ' CD2' ' A' ' 33' ' ' HIS . 86.1 mt -47.24 -39.13 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.1 -66.78 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 75.7 m -78.2 -57.95 3.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -44.12 -43.56 7.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 29' ' ' ILE . 3.9 m-70 -132.39 89.48 36.57 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.576 0.703 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 33' ' ' HIS . 53.0 Cg_endo -69.83 -50.3 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -125.6 -30.26 3.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.4 t -65.53 103.45 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.837 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 t -138.9 152.21 47.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.845 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -100.85 -57.15 2.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.09 81.58 1.45 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -71.12 -36.75 72.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.938 0.399 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 t 57.51 46.79 17.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.52 -110.71 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -131.98 42.4 3.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 0.0 110.827 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.0 m -126.98 165.24 19.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -109.05 123.15 48.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.1 p -129.4 143.85 51.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -83.77 115.83 61.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.639 0.733 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 2.6 3.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.724 HG11 ' CE1' ' A' ' 33' ' ' HIS . 46.3 t -96.96 -46.79 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.46 ' O ' ' C ' ' A' ' 16' ' ' GLU . 21.1 p -131.81 32.77 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 15' ' ' CYS . 41.5 tt0 33.88 54.84 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HG2' ' CE1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -98.4 126.5 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.8 p -106.88 141.34 38.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.426 ' CE1' ' HG2' ' A' ' 17' ' ' LYS . 85.0 m-85 -135.59 165.36 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.2 t -86.33 -45.56 11.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' OE1' ' NH1' ' A' ' 23' ' ' ARG . 21.4 mm-40 -96.14 173.88 7.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.427 ' O ' HG22 ' A' ' 25' ' ' ILE . 20.2 t0 -91.79 -47.49 7.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' NH1' ' OE1' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -52.65 -20.38 3.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 63.6 mt -78.44 -59.02 2.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' ' 22' ' ' ASP . 3.0 tp -55.34 -35.7 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -69.76 -49.78 49.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 94.6 p -59.75 -43.57 94.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.59 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 5.7 t60 -51.89 -70.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.59 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 86.7 mt -34.82 -47.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -58.54 -58.72 7.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.4 m -66.47 -62.08 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.476 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 3.0 m-80 -53.54 -48.6 68.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.724 ' CE1' HG11 ' A' ' 14' ' ' VAL . 23.6 m-70 -120.77 82.83 35.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.623 0.725 . . . . 0.0 110.817 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -43.67 2.5 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.11 -25.49 4.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.1 t -83.6 55.23 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.9 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.872 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.7 p -156.22 170.82 21.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.89 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.4 t -76.17 -52.74 9.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.12 -110.79 0.53 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.47 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 m -119.21 42.27 2.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.905 0.383 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.8 m -107.17 144.04 34.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.27 -166.64 19.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 -51.98 110.2 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.8 p -101.04 142.23 32.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.488 ' CB ' HG21 ' A' ' 25' ' ' ILE . 47.0 m-85 -84.62 123.63 30.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.958 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.0 p -124.08 124.27 42.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.3 t -59.49 109.97 2.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.641 0.734 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 1.37 4.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.669 2.246 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.9 t -92.5 -49.72 12.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' GLU . 28.0 p -128.39 38.02 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' CYS . 29.1 tp10 35.19 53.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.1 tptm -91.21 158.51 16.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.1 t -133.71 152.69 51.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.437 ' CE1' HD12 ' A' ' 25' ' ' ILE . 95.3 m-85 -149.47 161.82 41.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 t -94.13 -31.04 14.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -102.86 168.09 9.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.64 ' O ' HG22 ' A' ' 25' ' ' ILE . 13.4 t0 -87.5 -47.68 8.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -18.63 65.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 mt -73.4 -49.25 28.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.64 HG22 ' O ' ' A' ' 22' ' ' ASP . 5.8 tp -61.86 -29.16 45.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -72.02 -41.95 66.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.6 t -67.34 -40.17 85.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.585 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 19.9 t60 -53.37 -74.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.835 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.494 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 87.2 mt -34.81 -32.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -72.47 -60.31 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.437 HG23 ' NZ ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -67.28 -51.65 50.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.585 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 3.1 m-80 -61.84 -46.77 88.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.9 m-70 -122.58 79.96 47.38 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 110.821 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -47.54 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.661 2.24 . . . . 0.0 112.308 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -128.1 31.72 5.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.7 t -131.07 61.23 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.851 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -58.68 154.73 13.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -124.85 -47.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.51 61.31 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -46.85 -45.56 20.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.835 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 p -119.51 83.67 2.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.98 -172.73 32.65 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.2 mtp180 -119.06 110.75 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t -111.32 168.01 9.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -116.9 106.22 13.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.5 p -114.6 113.03 23.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 35.6 t -59.36 111.61 4.02 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.629 0.728 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 12' ' ' CYS . 53.3 Cg_endo -69.74 1.71 4.17 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.492 HG11 ' CG ' ' A' ' 33' ' ' HIS . 44.3 t -95.85 -55.39 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' GLU . 27.0 p -118.96 32.06 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.835 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' CYS . 6.9 mt-10 34.45 41.07 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.511 ' HG2' ' CE1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -104.0 125.61 50.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.9 t -92.63 160.35 15.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.511 ' CE1' ' HG2' ' A' ' 17' ' ' LYS . 64.3 m-85 -147.56 134.09 19.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -84.68 19.96 1.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.618 ' HB2' HD12 ' A' ' 24' ' ' LEU . 5.5 mm-40 -138.18 160.06 40.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -92.82 -34.01 14.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 18.1 ptt85 -80.47 -30.7 37.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' A' ' 21' ' ' GLU . 40.0 mt -67.56 -46.75 71.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.514 HG23 ' N ' ' A' ' 26' ' ' LYS . 2.6 tp -63.53 -47.6 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.514 ' N ' HG23 ' A' ' 25' ' ' ILE . 2.7 mmpt? -58.13 -56.55 20.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.5 m -62.12 -47.31 85.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 29' ' ' ILE . 5.0 t60 -46.7 -62.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.463 ' N ' ' CD2' ' A' ' 28' ' ' HIS . 83.0 mt -43.59 -34.03 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.145 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -71.58 -66.34 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 32' ' ' ASN . 4.3 t -51.06 -50.13 59.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.506 ' N ' HG23 ' A' ' 31' ' ' THR . 12.9 m-80 -72.76 -41.53 64.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.492 ' CG ' HG11 ' A' ' 14' ' ' VAL . 2.8 m-70 -126.18 84.05 62.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.569 0.699 . . . . 0.0 110.831 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -49.48 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.531 ' OE2' HG23 ' A' ' 36' ' ' VAL . 0.0 OUTLIER -133.42 39.51 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.531 HG23 ' OE2' ' A' ' 35' ' ' GLU . 4.3 t -125.12 60.21 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.828 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -111.99 43.27 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.855 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t 68.44 42.5 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.37 89.2 0.55 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -138.13 142.06 40.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 110.839 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 t -57.18 106.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.7 114.84 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.444 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -54.14 175.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.1 p -91.05 158.47 16.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.556 ' CE1' ' OD2' ' A' ' 22' ' ' ASP . 10.1 m-85 -108.51 120.47 42.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.962 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.1 m -133.63 143.47 48.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.423 ' N ' HD11 ' A' ' 25' ' ' ILE . 36.0 t -77.13 114.95 44.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.619 0.723 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 2.57 3.44 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 20.6 t -96.8 -55.36 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 16' ' ' GLU . 15.4 p -120.15 36.23 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 15' ' ' CYS . 46.7 mt-10 33.97 52.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -94.78 169.7 9.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 81.0 p -137.48 136.51 37.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 24' ' ' LEU . 78.0 m-85 -130.0 165.61 21.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -89.33 -43.4 10.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -107.64 168.43 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.717 ' O ' HG22 ' A' ' 25' ' ' ILE . 5.2 m-20 -82.79 -39.06 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 23' ' ' ARG . 0.8 OUTLIER -60.3 -16.26 32.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.888 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.423 ' HB3' ' CD2' ' A' ' 19' ' ' PHE . 59.1 mt -85.64 -45.73 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 22' ' ' ASP . 3.9 tp -61.39 -23.71 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -86.83 -38.6 16.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.439 ' N ' ' HG3' ' A' ' 26' ' ' LYS . 98.4 p -74.28 -26.51 60.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.411 ' CE1' ' CG ' ' A' ' 32' ' ' ASN . 7.6 t60 -67.89 -60.19 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.9 mt -48.51 -39.74 10.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -56.22 -61.3 2.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.4 m -68.78 -57.93 4.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.127 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.411 ' CG ' ' CE1' ' A' ' 28' ' ' HIS . 6.9 m-80 -54.47 -50.81 66.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.45 ' HB3' HG13 ' A' ' 36' ' ' VAL . 3.3 m-70 -121.83 82.39 42.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.639 0.733 . . . . 0.0 110.839 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -51.49 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -109.79 -37.56 5.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.45 HG13 ' HB3' ' A' ' 33' ' ' HIS . 12.5 p -75.42 151.62 6.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.9 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.869 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 m -128.39 -47.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -87.14 42.35 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.901 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.93 62.15 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.8 p -105.25 42.67 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.371 . . . . 0.0 110.868 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t 59.09 43.88 16.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.69 -47.28 5.42 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -47.59 -30.05 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.805 0.336 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.7 m -81.6 143.25 32.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -112.51 125.44 54.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 p -85.81 134.89 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.8 t -83.51 114.62 54.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.628 0.727 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 2.8 3.17 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.636 HG11 ' CG ' ' A' ' 33' ' ' HIS . 76.4 t -99.75 -54.12 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 16' ' ' GLU . 19.4 p -119.29 33.3 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 15' ' ' CYS . 36.8 mt-10 34.14 36.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 15' ' ' CYS . 20.6 ttmt -107.91 122.4 46.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.93 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.7 p -101.88 142.56 33.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -119.72 137.14 54.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 t -61.11 -41.42 96.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.94 175.09 7.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -109.02 -23.16 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -89.16 -39.3 13.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.1 mt -56.2 -45.02 80.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.9 tp -62.39 -36.48 74.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.15 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -70.35 -56.13 7.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.0 p -61.4 -40.26 93.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.624 ' HD1' ' ND2' ' A' ' 32' ' ' ASN . 9.3 t60 -51.96 -65.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 28' ' ' HIS . 68.0 mt -37.08 -28.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' HIS . 14.5 ttmm -78.72 -66.86 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 32' ' ' ASN . 3.3 t -56.79 -49.4 75.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.624 ' ND2' ' HD1' ' A' ' 28' ' ' HIS . 4.8 m-80 -66.91 -45.01 79.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.636 ' CG ' HG11 ' A' ' 14' ' ' VAL . 14.6 m-70 -124.1 82.4 56.63 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.719 . . . . 0.0 110.877 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -50.63 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.694 2.263 . . . . 0.0 112.335 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.401 ' O ' ' CD ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -128.39 40.94 3.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.613 ' O ' HG12 ' A' ' 36' ' ' VAL . 47.6 t -133.93 53.17 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 93.3 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 -179.821 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -95.33 129.97 42.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.883 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.4 p -53.21 106.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.31 -85.32 0.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 t -47.02 174.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -107.92 42.14 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.39 115.18 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -57.42 -38.45 74.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.434 ' N ' ' HG3' ' A' ' 8' ' ' ARG . 46.8 m -98.37 161.16 13.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -80.05 107.28 12.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -134.5 136.2 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.1 t -70.88 118.49 65.73 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.85 2.54 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.1 t -104.97 -57.72 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.401 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 14.1 p -97.33 -14.37 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 65.93 49.26 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.401 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.3 OUTLIER -114.51 147.27 39.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.3 t -99.8 151.91 20.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.497 ' CE1' HD12 ' A' ' 25' ' ' ILE . 6.9 m-85 -134.53 165.33 25.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -93.46 -43.27 8.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -107.3 147.21 30.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.64 -40.16 84.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -57.96 -39.24 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.59 -58.81 5.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.497 HD12 ' CE1' ' A' ' 19' ' ' PHE . 2.2 tp -55.93 -37.81 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -61.86 -62.13 2.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.1 t -58.65 -41.21 85.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -46.48 -50.85 16.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.7 mt -60.51 -37.95 76.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.3 tttp -65.83 -52.25 52.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.5 m -74.35 -60.66 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.131 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -55.82 -49.0 74.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.457 ' HB3' HG13 ' A' ' 36' ' ' VAL . 22.9 m-70 -111.72 78.81 2.24 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.518 0.675 . . . . 0.0 110.822 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -51.15 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 36' ' ' VAL . 18.3 pt-20 -111.93 -36.22 5.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.457 HG13 ' HB3' ' A' ' 33' ' ' HIS . 3.5 p -67.6 139.37 21.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.877 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_